ChEMBL ligand: CHEMBL561057 (NSC-722041, Sq-109, Sq109, SQ-109, SQ109)
(2Z,6E)-farnesyl diphosphate synthase in Mycobacterium tuberculosis [ChEMBL: CHEMBL5465374] [UniProtKB: P9WFF5] There should be some charts here, you may need to enable JavaScript!
ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] There should be some charts here, you may need to enable JavaScript!
Decaprenyl diphosphate synthase in Mycobacterium tuberculosis [ChEMBL: CHEMBL5465376] [UniProtKB: P9WFF7] There should be some charts here, you may need to enable JavaScript!
Dehydrosqualene synthase in S.aureus [ChEMBL: CHEMBL5440] [UniProtKB: A9JQL9] There should be some charts here, you may need to enable JavaScript!
geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749] There should be some charts here, you may need to enable JavaScript!
Plasmodium falciparum [ChEMBL: CHEMBL364] There should be some charts here, you may need to enable JavaScript!
squalene synthase /Squalene synthetase in Human [ChEMBL: CHEMBL3338] [GtoPdb: 645] [UniProtKB: P37268] There should be some charts here, you may need to enable JavaScript!
Trehalose monomycolate exporter MmpL3 in Mycolicibacterium smegmatis [ChEMBL: CHEMBL5465372] [UniProtKB: A0QP27] There should be some charts here, you may need to enable JavaScript!
Undecaprenyl-diphosphatase in Escherichia coli [ChEMBL: CHEMBL4295581] [UniProtKB: P60932] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
(2Z,6E)-farnesyl diphosphate synthase in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5465374] [UniProtKB: P9WFF5]
ChEMBL	Inhibition of Mycobacterium tuberculosis cis-farnesyl diphosphate synthase	B	4.3	pIC50	>=50000	nM	IC50	J Med Chem (2023) 66: 7553-7569 [PMID:37235809]
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL	Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells membrane vesicles assessed inhibition of BCRP- mediated transport of 3[H]-E1S for 1 mins using [3H]-estrone sulfate as substrate by rapid filtration technique	B	5.26	pIC50	5500	nM	IC50	Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
Decaprenyl diphosphate synthase in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5465376] [UniProtKB: P9WFF7]
ChEMBL	Inhibition of Mycobacterium tuberculosis cis-decaprenyl diphosphate synthase	B	4.3	pIC50	>=50000	nM	IC50	J Med Chem (2023) 66: 7553-7569 [PMID:37235809]
Dehydrosqualene synthase in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5440] [UniProtKB: A9JQL9]
ChEMBL	Inhibition of Staphylococcus aureus ATCC 27659 dehydrosqualene synthase expressed in Escherichia coli BL21(DE3) after 30 mins by spectrophotometric analysis	B	6.44	pKi	360	nM	Ki	J Med Chem (2012) 55: 4367-4372 [PMID:22486710]
ChEMBL	Inhibition of Staphylococcus aureus CrtM	B	4	pIC50	100000	nM	IC50	J Med Chem (2014) 57: 3126-3139 [PMID:24568559]
geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
ChEMBL	Inhibition of human geranylgeranyl diphosphate synthase	B	5.35	pIC50	4500	nM	IC50	J Med Chem (2014) 57: 3126-3139 [PMID:24568559]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL	Antimicrobial activity against Plasmodium falciparum 3D7 by intraerythrocytic assay	F	5.52	pIC50	3000	nM	IC50	J Med Chem (2014) 57: 3126-3139 [PMID:24568559]
squalene synthase /Squalene synthetase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3338] [GtoPdb: 645] [UniProtKB: P37268]
GtoPdb	-	-	6.13	pKi	740	nM	Ki	J Med Chem (2012) 55: 4367-72 [PMID:22486710]
ChEMBL	Inhibition of human squalene synthase	B	6.13	pKi	740	nM	Ki	J Med Chem (2012) 55: 4367-4372 [PMID:22486710]
ChEMBL	Inhibition of human SQS	B	4	pIC50	100000	nM	IC50	J Med Chem (2014) 57: 3126-3139 [PMID:24568559]
Trehalose monomycolate exporter MmpL3 in Mycolicibacterium smegmatis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5465372] [UniProtKB: A0QP27]
ChEMBL	Binding affinity to C-terminal 10XHis-tagged Mycobacterium smegmatis mc2 155 MmpL3 expressed in Mycobacterium smegmatis mc2 155 cells by microscale thermophoresis analysis	B	5.8	pKd	1600	nM	Kd	J Med Chem (2023) 66: 7553-7569 [PMID:37235809]
Undecaprenyl-diphosphatase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295581] [UniProtKB: P60932]
ChEMBL	Inhibition of UppP in Escherichia coli using FPP as substrate pretreated for 20 mins followed by FPP addition and measured after 60 mins by malachite green based assay	B	4.49	pIC50	32000	nM	IC50	J Med Chem (2023) 66: 7553-7569 [PMID:37235809]

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]