BDBM50022667 CHEMBL3299051

SMILES: Cc1ccc(cc1Cl)-c1cc2c(NCP(O)(O)=O)ncnc2s1

InChI Key: InChIKey=JQHHLVCNLMPXPL-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50022667   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50022667 (CHEMBL3299051) Show SMILES Cc1ccc(cc1Cl)-c1cc2c(NCP(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C14H13ClN3O3PS/c1-8-2-3-9(4-11(8)15)12-5-10-13(18-7-22(19,20)21)16-6-17-14(10)23-12/h2-6H,7H2,1H3,(H,16,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of FPPS (unknown origin)				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50022667 (CHEMBL3299051) Show SMILES Cc1ccc(cc1Cl)-c1cc2c(NCP(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C14H13ClN3O3PS/c1-8-2-3-9(4-11(8)15)12-5-10-13(18-7-22(19,20)21)16-6-17-14(10)23-12/h2-6H,7H2,1H3,(H,16,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [3H]-IPP as substrate preincubated ...				J Med Chem 60: 2119-2134 (2017) Article DOI: 10.1021/acs.jmedchem.6b01888 BindingDB Entry DOI: 10.7270/Q23F4RXR
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50022667 (CHEMBL3299051) Show SMILES Cc1ccc(cc1Cl)-c1cc2c(NCP(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C14H13ClN3O3PS/c1-8-2-3-9(4-11(8)15)12-5-10-13(18-7-22(19,20)21)16-6-17-14(10)23-12/h2-6H,7H2,1H3,(H,16,17,18)(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair