Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Farnesyl pyrophosphate synthase' and Ligand = 'BDBM50531187'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	335	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 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	335	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 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	340	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 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	340	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 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	370	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) measured after 30 mins				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	370	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) measured after 30 mins				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	730	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 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	730	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 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	1.30E+3	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 [14C] IPP as ...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	1.30E+3	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 [14C] IPP as ...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	6.30E+3	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 IPP as substrate meas...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	6.30E+3	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 IPP as substrate meas...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	>5.00E+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 FPPS expressed in Escherichia coli BL21 (DE3) using GPP as substrate meas...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	>5.00E+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 FPPS expressed in Escherichia coli BL21 (DE3) using GPP as substrate meas...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	n/a	61.6	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) by surface plasmon re...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531187 (CHEMBL4586056) Show SMILES [H][C@@]12CC(=O)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)c1nnc(C)o1 |r,c:11,t:5| Show InChI InChI=1S/C22H26N2O4/c1-11(2)13-9-14-15(25)10-16-21(4,5)7-6-8-22(16,17(14)19(27)18(13)26)20-24-23-12(3)28-20/h9,11,16H,6-8,10H2,1-5H3/t16-,22+/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	n/a	61.6	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Binding affinity to human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) by surface plasmon re...				J Med Chem 62: 10867-10896 (2019) Article DOI: 10.1021/acs.jmedchem.9b01405 BindingDB Entry DOI: 10.7270/Q2Z03CNH
					More data for this Ligand-Target Pair