BDBM50432305 CHEMBL2347863

SMILES: OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccc2ccccc2c1)P(O)(O)=O

InChI Key: InChIKey=AHKZPDVODREWAP-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 = 50432305   

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))	BDBM50432305 (CHEMBL2347863) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccc2ccccc2c1)P(O)(O)=O Show InChI InChI=1S/C17H15N3O6P2S/c21-27(22,23)17(28(24,25)26)20-15-13-8-14(29-16(13)19-9-18-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,17H,(H,18,19,20)(H2,21,22,23)(H2,24,25,26)	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	63	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50432305 (CHEMBL2347863) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccc2ccccc2c1)P(O)(O)=O Show InChI InChI=1S/C17H15N3O6P2S/c21-27(22,23)17(28(24,25)26)20-15-13-8-14(29-16(13)19-9-18-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,17H,(H,18,19,20)(H2,21,22,23)(H2,24,25,26)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged FPPS transfected in Escherichia coli BL21 (DE3) cells using GPP and [3H]-IPP as substrate incu...				Bioorg Med Chem 21: 2229-40 (2013) Article DOI: 10.1016/j.bmc.2013.02.006 BindingDB Entry DOI: 10.7270/Q2GM88PG
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50432305 (CHEMBL2347863) Show SMILES OP(O)(=O)C(Nc1ncnc2sc(cc12)-c1ccc2ccccc2c1)P(O)(O)=O Show InChI InChI=1S/C17H15N3O6P2S/c21-27(22,23)17(28(24,25)26)20-15-13-8-14(29-16(13)19-9-18-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,17H,(H,18,19,20)(H2,21,22,23)(H2,24,25,26)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting analy...				J Med Chem 56: 7939-50 (2013) Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B
					More data for this Ligand-Target Pair