BAY-6035 [Ligand Id: 13977] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4746525
  • SET and MYND domain containing 3/Histone-lysine N-methyltransferase SMYD3 in Human [ChEMBL: CHEMBL2321643] [GtoPdb: 3313] [UniProtKB: Q9H7B4]
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  • FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
SET and MYND domain containing 3/Histone-lysine N-methyltransferase SMYD3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321643] [GtoPdb: 3313] [UniProtKB: Q9H7B4]
ChEMBL Selectivity interaction (ITC) EUB0000221b SMYD3 B 6.88 pKd 133 nM Kd Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL Selectivity interaction (SPR measurement) EUB0000221b SMYD3 B 7.01 pKd 97 nM Kd Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL Affinity Phenotypic Cellular interaction (Immunoblot (inhibition of MAP3K2 methylation in HeLa cells)) EUB0000221b SMYD3 B 6.74 pIC50 183 nM IC50 Affinity Phenotypic Cellular Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL Affinity Biochemical interaction (Scintillation proximity assay (SPA)) EUB0000221b SMYD3 B 7.06 pIC50 88 nM IC50 Affinity Biochemical Literature for EUbOPEN Chemogenomics Library wave 3
GtoPdb Measuring inhibition of methylation of MEKK2 peptide in vitro - 7.06 pIC50 88 nM IC50 BAY-6035 A potent, peptide-competitive chemical probe for SMYD3. thesgc.org
FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
ChEMBL Selectivity interaction (Kinase panel (HTRF assay)) EUB0000221b FYN B 5.24 pIC50 5710 nM IC50 Selectivity Literature for EUbOPEN Chemogenomics Library wave 3

ChEMBL data shown on this page come from version 35:

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]