Compile Data Set for Download or QSAR

Found 14 hits of kd data for polymerid = 4416   

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))	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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531179 (Methyl Carnosate) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)C(=O)OC |r| Show InChI InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(24)25-5)16(13)18(23)17(14)22/h11-12,15,22-23H,6-10H2,1-5H3/t15-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	360	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))	BDBM50531179 (Methyl Carnosate) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)C(=O)OC |r| Show InChI InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(24)25-5)16(13)18(23)17(14)22/h11-12,15,22-23H,6-10H2,1-5H3/t15-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	360	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))	BDBM50531174 (CHEMBL4550442) Show SMILES [H][C@@]12C3OC(=O)[C@@]1(CCCC2(C)C)C1=C(C=C(C(C)C)C(=O)C1=O)C3=O |r,t:15,17,THB:5:4:24.14.13:1| Show InChI InChI=1S/C20H22O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,16-17H,5-7H2,1-4H3/t16?,17-,20-/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	448	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))	BDBM50531174 (CHEMBL4550442) Show SMILES [H][C@@]12C3OC(=O)[C@@]1(CCCC2(C)C)C1=C(C=C(C(C)C)C(=O)C1=O)C3=O |r,t:15,17,THB:5:4:24.14.13:1| Show InChI InChI=1S/C20H22O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,16-17H,5-7H2,1-4H3/t16?,17-,20-/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	448	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))	BDBM50432306 (CHEMBL2347862) Show SMILES Cc1ccc(cc1)-c1cc2c(NC(P(O)(O)=O)P(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C14H15N3O6P2S/c1-8-2-4-9(5-3-8)11-6-10-12(15-7-16-13(10)26-11)17-14(24(18,19)20)25(21,22)23/h2-7,14H,1H3,(H,15,16,17)(H2,18,19,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Binding affinity to human FPPS by isothermal titration colorimetry in absence of Mg2+ ions				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				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50531177 (CHEMBL4544242) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)C(=O)NC(=O)[C@H](C)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C28H42N2O6/c1-15(2)18-14-17-10-11-19-27(7,8)12-9-13-28(19,20(17)22(32)21(18)31)24(34)30-23(33)16(3)29-25(35)36-26(4,5)6/h14-16,19,31-32H,9-13H2,1-8H3,(H,29,35)(H,30,33,34)/t16-,19-,28+/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	8.16E+3	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))	BDBM50531177 (CHEMBL4544242) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)c(O)c3[C@]1(CCCC2(C)C)C(=O)NC(=O)[C@H](C)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C28H42N2O6/c1-15(2)18-14-17-10-11-19-27(7,8)12-9-13-28(19,20(17)22(32)21(18)31)24(34)30-23(33)16(3)29-25(35)36-26(4,5)6/h14-16,19,31-32H,9-13H2,1-8H3,(H,29,35)(H,30,33,34)/t16-,19-,28+/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	8.16E+3	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))	BDBM50022663 (CHEMBL3299047) Show SMILES Cc1ccc(cc1)-c1cc2c(NCP(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C14H14N3O3PS/c1-9-2-4-10(5-3-9)12-6-11-13(17-8-21(18,19)20)15-7-16-14(11)22-12/h2-7H,8H2,1H3,(H,15,16,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Binding affinity to human FPPS by isothermal titration colorimetry in absence of Mg2+ ions				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				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50024797 (CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...) Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1	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	n/a	5.50E+5	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H11 of isopentenyl...				J Med Chem 57: 7798-803 (2014) Article DOI: 10.1021/jm500869x BindingDB Entry DOI: 10.7270/Q25140SB
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50024797 (CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...) Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1	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	n/a	1.21E+6	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H14-H15 of isopent...				J Med Chem 57: 7798-803 (2014) Article DOI: 10.1021/jm500869x BindingDB Entry DOI: 10.7270/Q25140SB
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50024797 (CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...) Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1	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	n/a	2.02E+6	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H2/H8 of purine ri...				J Med Chem 57: 7798-803 (2014) Article DOI: 10.1021/jm500869x BindingDB Entry DOI: 10.7270/Q25140SB
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50024797 (CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...) Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1	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	n/a	2.21E+6	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Salerno Curated by ChEMBL					Assay Description Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H12 of isopentenyl...				J Med Chem 57: 7798-803 (2014) Article DOI: 10.1021/jm500869x BindingDB Entry DOI: 10.7270/Q25140SB
					More data for this Ligand-Target Pair