Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 2145   

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
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17327 ((2S)-2-({1-[benzyl(1,3-thiazol-5-ylmethyl)carbamoy...) Show SMILES CSCC[C@H](NC(=O)C1=C(CN(CC1)C(=O)N(Cc1cncs1)Cc1ccccc1)c1ccccc1C)C(O)=O |r,t:8| Show InChI InChI=1S/C30H34N4O4S2/c1-21-8-6-7-11-24(21)26-19-33(14-12-25(26)28(35)32-27(29(36)37)13-15-39-2)30(38)34(18-23-16-31-20-40-23)17-22-9-4-3-5-10-22/h3-11,16,20,27H,12-15,17-19H2,1-2H3,(H,32,35)(H,36,37)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17328 ((2S)-2-[(1-{[3-cyclohexyl-1-(1,3-thiazol-5-yl)prop...) Show SMILES CSCC[C@H](NC(=O)C1=C(CN(CC1)C(=O)OC(CCC1CCCCC1)c1cncs1)c1ccccc1C)C(O)=O |r,t:8| Show InChI InChI=1S/C31H41N3O5S2/c1-21-8-6-7-11-23(21)25-19-34(16-14-24(25)29(35)33-26(30(36)37)15-17-40-2)31(38)39-27(28-18-32-20-41-28)13-12-22-9-4-3-5-10-22/h6-8,11,18,20,22,26-27H,3-5,9-10,12-17,19H2,1-2H3,(H,33,35)(H,36,37)/t26-,27?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17335 (1-[(2R)-2-{[(4-cyanophenyl)methyl](methyl)amino}-3...) Show SMILES CN(Cc1ccc(cc1)C#N)[C@H](Cc1cncn1C)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:28| Show InChI InChI=1S/C32H30N6O/c1-36(20-24-12-10-23(17-33)11-13-24)31(16-27-19-35-22-37(27)2)32(39)38-15-14-26(18-34)30(21-38)29-9-5-7-25-6-3-4-8-28(25)29/h3-13,19,22,31H,14-16,20-21H2,1-2H3/t31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17325 ((2S)-2-[(4-{[butyl(2-cyclohexylethyl)amino]methyl}...) Show SMILES CCCCN(CCC1CCCCC1)Cc1ccc(C(=O)N[C@@H](CCSC)C(O)=O)c(c1)-c1ccccc1C |r| Show InChI InChI=1S/C32H46N2O3S/c1-4-5-19-34(20-17-25-12-7-6-8-13-25)23-26-15-16-28(29(22-26)27-14-10-9-11-24(27)2)31(35)33-30(32(36)37)18-21-38-3/h9-11,14-16,22,25,30H,4-8,12-13,17-21,23H2,1-3H3,(H,33,35)(H,36,37)/t30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17333 (1-[(2R)-2-{[(4-cyanophenyl)methyl]amino}-3-(1-meth...) Show SMILES Cn1cncc1C[C@@H](NCc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:27| Show InChI InChI=1S/C31H28N6O/c1-36-21-34-19-26(36)15-30(35-18-23-11-9-22(16-32)10-12-23)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-12,19,21,30,35H,13-15,18,20H2,1H3/t30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17326 ((2S)-2-[(1-{2-[benzyl(1,3-thiazol-5-ylmethyl)amino...) Show SMILES CSCC[C@H](NC(=O)C1=C(CN(CC1)C(=O)CN(Cc1cncs1)Cc1ccccc1)c1ccccc1C)C(O)=O |r,t:8| Show InChI InChI=1S/C31H36N4O4S2/c1-22-8-6-7-11-25(22)27-19-35(14-12-26(27)30(37)33-28(31(38)39)13-15-40-2)29(36)20-34(18-24-16-32-21-41-24)17-23-9-4-3-5-10-23/h3-11,16,21,28H,12-15,17-20H2,1-2H3,(H,33,37)(H,38,39)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17334 (1-[(2S)-2-{[(4-cyanophenyl)methyl]amino}-3-(1-meth...) Show SMILES Cn1cncc1C[C@H](NCc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:27| Show InChI InChI=1S/C31H28N6O/c1-36-21-34-19-26(36)15-30(35-18-23-11-9-22(16-32)10-12-23)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-12,19,21,30,35H,13-15,18,20H2,1H3/t30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17331 (1-[(2R)-3-(4-cyanophenyl)-2-{[(1-methyl-1H-imidazo...) Show SMILES Cn1cncc1CN[C@H](Cc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:27| Show InChI InChI=1S/C31H28N6O/c1-36-21-34-18-26(36)19-35-30(15-22-9-11-23(16-32)12-10-22)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-12,18,21,30,35H,13-15,19-20H2,1H3/t30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17330 (1-(2-{benzyl[(1-methyl-1H-imidazol-5-yl)methyl]ami...) Show SMILES Cn1cncc1CN(CC(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12)Cc1ccccc1 |c:17| Show InChI InChI=1S/C30H29N5O/c1-33-22-32-17-26(33)19-34(18-23-8-3-2-4-9-23)21-30(36)35-15-14-25(16-31)29(20-35)28-13-7-11-24-10-5-6-12-27(24)28/h2-13,17,22H,14-15,18-21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17332 (1-[(2S)-3-(4-cyanophenyl)-2-{[(1-methyl-1H-imidazo...) Show SMILES Cn1cncc1CN[C@@H](Cc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:27| Show InChI InChI=1S/C31H28N6O/c1-36-21-34-18-26(36)19-35-30(15-22-9-11-23(16-32)12-10-22)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-12,18,21,30,35H,13-15,19-20H2,1H3/t30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17329 (1-(2-{[(4-cyanophenyl)methyl][(1-methyl-1H-imidazo...) Show SMILES Cn1cncc1CN(CC(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12)Cc1ccc(cc1)C#N |c:17| Show InChI InChI=1S/C31H28N6O/c1-35-22-34-17-27(35)19-36(18-24-11-9-23(15-32)10-12-24)21-31(38)37-14-13-26(16-33)30(20-37)29-8-4-6-25-5-2-3-7-28(25)29/h2-12,17,22H,13-14,18-21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting FTase was determined by measuring the transfer of [3H]-FPP to substrate Ha-Ras-CVLS. The incorporated r...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17335 (1-[(2R)-2-{[(4-cyanophenyl)methyl](methyl)amino}-3...) Show SMILES CN(Cc1ccc(cc1)C#N)[C@H](Cc1cncn1C)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:28| Show InChI InChI=1S/C32H30N6O/c1-36(20-24-12-10-23(17-33)11-13-24)31(16-27-19-35-22-37(27)2)32(39)38-15-14-26(18-34)30(21-38)29-9-5-7-25-6-3-4-8-28(25)29/h3-13,19,22,31H,14-16,20-21H2,1-2H3/t31-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting GGTase-1 was determined by measuring the transfer of [3H]-geranylgeranylpyrophosphate to substrate Ha-R...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Bos taurus (bovine))	BDBM17333 (1-[(2R)-2-{[(4-cyanophenyl)methyl]amino}-3-(1-meth...) Show SMILES Cn1cncc1C[C@@H](NCc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:27| Show InChI InChI=1S/C31H28N6O/c1-36-21-34-19-26(36)15-30(35-18-23-11-9-22(16-32)10-12-23)31(38)37-14-13-25(17-33)29(20-37)28-8-4-6-24-5-2-3-7-27(24)28/h2-12,19,21,30,35H,13-15,18,20H2,1H3/t30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.5	37
Abbott Laboratories					Assay Description The in vitro activity of compounds inhibiting GGTase-1 was determined by measuring the transfer of [3H]-geranylgeranylpyrophosphate to substrate Ha-R...				Bioorg Med Chem Lett 13: 1359-62 (2003) Article DOI: 10.1016/S0960-894X(03)00095-7 BindingDB Entry DOI: 10.7270/Q2QJ7FK9
					More data for this Ligand-Target Pair