compound 15 [PMID: 22017539] [Ligand Id: 8636] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1939876
  • protein kinase AMP-activated catalytic subunit alpha 1/AMP-activated protein kinase, alpha-1 subunit in Human [ChEMBL: CHEMBL4045] [GtoPdb: 1541] [UniProtKB: Q13131]
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  • protein kinase, cAMP-dependent, catalytic, alpha subunit/cAMP-dependent protein kinase alpha-catalytic subunit in Human [ChEMBL: CHEMBL4101] [GtoPdb: 1476] [UniProtKB: P17612]
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  • D5 receptor/Dopamine D5 receptor in Human [ChEMBL: CHEMBL1850] [GtoPdb: 218] [UniProtKB: P21918]
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  • MAPK activated protein kinase 2/MAP kinase-activated protein kinase 2 in Human [ChEMBL: CHEMBL2208] [GtoPdb: 2094] [UniProtKB: P49137]
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  • MMP1/Matrix metalloproteinase-1 in Human [ChEMBL: CHEMBL332] [GtoPdb: 1628] [UniProtKB: P03956]
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  • MMP10/Matrix metalloproteinase 10 in Human [ChEMBL: CHEMBL4270] [GtoPdb: 1634] [UniProtKB: P09238]
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  • MMP12/Matrix metalloproteinase 12 in Human [ChEMBL: CHEMBL4393] [GtoPdb: 1636] [UniProtKB: P39900]
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  • MMP13/Matrix metalloproteinase 13 in Human [ChEMBL: CHEMBL280] [GtoPdb: 1637] [UniProtKB: P45452]
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  • MMP14/Matrix metalloproteinase 14 in Human [ChEMBL: CHEMBL3869] [GtoPdb: 1638] [UniProtKB: P50281]
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  • MMP2/Matrix metalloproteinase-2 in Human [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253]
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  • MMP3/Matrix metalloproteinase 3 in Human [ChEMBL: CHEMBL283] [GtoPdb: 1630] [UniProtKB: P08254]
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  • MMP9/Matrix metalloproteinase 9 in Human [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780]
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  • aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
protein kinase AMP-activated catalytic subunit alpha 1/AMP-activated protein kinase, alpha-1 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4045] [GtoPdb: 1541] [UniProtKB: Q13131]
ChEMBL Selectivity interaction (Enzyme panel (Invitrogen)) EUB0000730a PRKAA1 B 5.72 pIC50 1900 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
protein kinase, cAMP-dependent, catalytic, alpha subunit/cAMP-dependent protein kinase alpha-catalytic subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4101] [GtoPdb: 1476] [UniProtKB: P17612]
ChEMBL Selectivity interaction (Enzyme panel (Invitrogen)) EUB0000730a PRKACA B 5.8 pIC50 1600 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP13 in Human [GtoPdb: 1637] [UniProtKB: P45452]
GtoPdb - - 9 pIC50 1 nM IC50 J Med Chem (2011) 54: 8174-87 [PMID:22017539]
MMP13/Collagenase 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3638350] [GtoPdb: 1637] [UniProtKB: P33435]
ChEMBL Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format. B 9.1 pIC50 0.8 nM IC50 US-8785489-B2. Heteroaryl substituted indole compounds useful as MMP-13 inhibitors (2014)
D5 receptor/Dopamine D5 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1850] [GtoPdb: 218] [UniProtKB: P21918]
ChEMBL GPCRScan assay: inhibition of D5 B 5 pKi 10000 nM Ki Data for DCP probe BI-4394
ChEMBL GPCRScan assay: inhibition of D5 B 5 pKi 10000 nM Ki Data for DCP probe BI-4394
ChEMBL Selectivity interaction (GPCR panel (PDSP screen)) EUB0000730a DRD5 B 5 pKi >10000 nM Ki Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MAPK activated protein kinase 2/MAP kinase-activated protein kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2208] [GtoPdb: 2094] [UniProtKB: P49137]
ChEMBL Selectivity interaction (Enzyme panel (Invitrogen)) EUB0000730a MAPKAPK2 B 5.96 pIC50 1100 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP1/Matrix metalloproteinase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL332] [GtoPdb: 1628] [UniProtKB: P03956]
ChEMBL Inhibition of human recombinant MMP1 after 30 mins by fluorimetry B 4.66 pIC50 >22000 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Biochemical assay (FRET) (MMP1) B 4.66 pIC50 >22000 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP1 B 4.66 pIC50 >22000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP10/Matrix metalloproteinase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4270] [GtoPdb: 1634] [UniProtKB: P09238]
ChEMBL Inhibition of human recombinant MMP10 after 30 mins by fluorimetry B 4.8 pIC50 16000 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Biochemical assay (FRET) with MMP10 B 4.8 pIC50 16000 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP10 B 4.8 pIC50 16000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP12/Matrix metalloproteinase 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4393] [GtoPdb: 1636] [UniProtKB: P39900]
ChEMBL Inhibition of human recombinant MMP12 after 30 mins by fluorimetry B 4.66 pIC50 >22000 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Biochemical assay (FRET) with MMP12 B 4.66 pIC50 >22000 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP12 B 4.66 pIC50 >22000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP13/Matrix metalloproteinase 13 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL280] [GtoPdb: 1637] [UniProtKB: P45452]
ChEMBL Affinity Phenotypic Cellular interaction (ELISA (bovine nasal cartilage (BNC) degradation assay, inhibition of full-length MMP-13-induced cartilage degradation)) EUB0000730a MMP13 B 7.51 pIC50 31 nM IC50 Affinity Phenotypic Cellular Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL Inhibition of human MMP13-mediated degradation of bovine nasal cartilage after 2 hrs by ELISA in the presence of 10% human serum B 7.51 pIC50 31 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Inhibition of AMPA-activated MMP13-mediated degradation of FITC-labeled type2 collagen after 1.5 hrs by fluorimetry B 7.96 pIC50 11 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL MMP13 collagen degradation assay B 7.96 pIC50 11 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay, + 1.25 % HSA)) EUB0000730a MMP13 B 8.4 pIC50 4 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL Inhibition of MMP13 after 30 mins by fluorimetry in the presence of 1.25% human serum albumin B 8.4 pIC50 4 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
GtoPdb - - 9 pIC50 1 nM IC50 J Med Chem (2011) 54: 8174-87 [PMID:22017539]
ChEMBL Biochemical assay (FRET) with MMP13 B 9 pIC50 1 nM IC50 Data for DCP probe BI-4394
ChEMBL Inhibition of human MMP13 expressed in Escherichia coli after 30 mins by fluorimetry B 9 pIC50 1 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Affinity Biochemical interaction (FRET assay) EUB0000730a MMP13 B 9 pIC50 1 nM IC50 Affinity Biochemical Literature for EUbOPEN Chemogenomics Library wave 3
MMP14/Matrix metalloproteinase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3869] [GtoPdb: 1638] [UniProtKB: P50281]
ChEMBL Inhibition of human recombinant MMP14 after 60 mins by fluorimetry B 5.08 pIC50 8300 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Biochemical assay (FRET) with MMP14 B 5.08 pIC50 8300 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP14 B 5.08 pIC50 8300 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP2/Matrix metalloproteinase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253]
ChEMBL Inhibition of human recombinant MMP2 after 30 mins by fluorimetry B 4.74 pIC50 18000 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Biochemical assay (FRET) with MMP2 B 4.74 pIC50 18000 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP2 B 4.74 pIC50 >18000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP3/Matrix metalloproteinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL283] [GtoPdb: 1630] [UniProtKB: P08254]
ChEMBL Inhibition of human recombinant MMP3 after 30 mins by fluorimetry B 4.66 pIC50 >22000 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Biochemical assay (FRET) with MMP3 B 4.66 pIC50 >22000 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP3 B 4.66 pIC50 >22000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP7/Matrix metalloproteinase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4073] [GtoPdb: 1631] [UniProtKB: P09237]
ChEMBL Inhibition of human recombinant MMP7 after 30 mins by fluorimetry B 4.66 pIC50 >22000 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Biochemical assay (FRET) with MMP7 B 4.66 pIC50 >22000 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP7 B 4.66 pIC50 >22000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP8/Matrix metalloproteinase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4588] [GtoPdb: 1632] [UniProtKB: P22894]
ChEMBL Inhibition of human recombinant MMP8 after 30 mins by fluorimetry B 4.66 pIC50 >22000 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Biochemical assay (FRET) with MMP8 B 4.66 pIC50 >22000 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP8 B 4.66 pIC50 >22000 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
MMP9/Matrix metalloproteinase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780]
ChEMBL Inhibition of human recombinant MMP9 after 30 mins by fluorimetry B 5.05 pIC50 8900 nM IC50 J Med Chem (2011) 54: 8174-8187 [PMID:22017539]
ChEMBL Biochemical assay (FRET) with MMP9 B 5.05 pIC50 8900 nM IC50 Data for DCP probe BI-4394
ChEMBL Selectivity interaction (MMPs panel (FRET assay)) EUB0000730a MMP9 B 5.05 pIC50 8900 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965]
ChEMBL Selectivity interaction (Enzyme panel (Invitrogen)) EUB0000730a STK6 B 5.89 pIC50 1300 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]