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SMILES: Cc1cccnc1NC(P(C)(O)=O)P(C)(O)=O

InChI Key: InChIKey=CLAKYLXNCBNZTH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50373091   

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 pyrophosphate synthase (Homo sapiens (Human))	BDBM50373091 (CHEMBL260340) Show SMILES Cc1cccnc1NC(P(C)(O)=O)P(C)(O)=O Show InChI InChI=1S/C9H16N2O4P2/c1-7-5-4-6-10-8(7)11-9(16(2,12)13)17(3,14)15/h4-6,9H,1-3H3,(H,10,11)(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins				J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50373091 (CHEMBL260340) Show SMILES Cc1cccnc1NC(P(C)(O)=O)P(C)(O)=O Show InChI InChI=1S/C9H16N2O4P2/c1-7-5-4-6-10-8(7)11-9(16(2,12)13)17(3,14)15/h4-6,9H,1-3H3,(H,10,11)(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21				J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50373091 (CHEMBL260340) Show SMILES Cc1cccnc1NC(P(C)(O)=O)P(C)(O)=O Show InChI InChI=1S/C9H16N2O4P2/c1-7-5-4-6-10-8(7)11-9(16(2,12)13)17(3,14)15/h4-6,9H,1-3H3,(H,10,11)(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins				J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50373091 (CHEMBL260340) Show SMILES Cc1cccnc1NC(P(C)(O)=O)P(C)(O)=O Show InChI InChI=1S/C9H16N2O4P2/c1-7-5-4-6-10-8(7)11-9(16(2,12)13)17(3,14)15/h4-6,9H,1-3H3,(H,10,11)(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS expressed in Escherichia coli BL21				J Med Chem 51: 2187-95 (2008) Article DOI: 10.1021/jm7015733 BindingDB Entry DOI: 10.7270/Q2W95B18
					More data for this Ligand-Target Pair