BDBM50531202 CHEMBL4519472

SMILES: [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O

InChI Key: InChIKey=SFLPAMLRGBKRND-QMHKHESXSA-N

Data: 8 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 8 hits for monomerid = 50531202   

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))	BDBM50531202 (CHEMBL4519472) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50531202 (CHEMBL4519472) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged GGPPS expressed in Escherichia coli BL21 (DE3) using FPP and [14C] IPP as...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531202 (CHEMBL4519472) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531202 (CHEMBL4519472) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50531202 (CHEMBL4519472) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged GGPPS expressed in Escherichia coli BL21 (DE3) using FPP and [14C] IPP as...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531202 (CHEMBL4519472) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and I...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531202 (CHEMBL4519472) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50531202 (CHEMBL4519472) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(o1)C(C)=O |r,c:11,t:5| Show InChI InChI=1S/C23H26N2O5/c1-11(2)13-9-14-15(27)10-16-22(4,5)7-6-8-23(16,17(14)19(29)18(13)28)21-25-24-20(30-21)12(3)26/h9,11,16H,6-8,10H2,1-5H3/t16-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405
					More data for this Ligand-Target Pair