Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50007381   

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 (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062250 (CHEMBL36407 | trisodium 5-[2-benzo[d][1,3]dioxol-5...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062251 (CHEMBL285263 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062249 (CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062249 (CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase in competitive manner with respect to FPP (farnesyl diphosphate) at 0.6 microM FPP and 0.36 microM Ras peptide				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062252 (CHEMBL36339 | trisodium 5-[2-benzo[d][1,3]dioxol-5...) Show SMILES C[C@H]([C@@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32-,33+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062249 (CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase in competitive manner with respect to FPP (farnesyl diphosphate) at 0.6 microM FPP and 3.6 microM Ras peptide.				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062248 (CHEMBL36515 | trisodium 5-[2-benzo[d][1,3]dioxol-5...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062256 (CHEMBL284073 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@H]([C@@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062258 (2-{[((E)-2-Benzo[1,3]dioxol-5-yl-5-benzooxazol-2-y...) Show SMILES CC(C(C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O Show InChI InChI=1S/C37H34N2O8/c1-23(39(35(40)19-28(37(43)44)20-36(41)42)21-24-13-14-25-7-2-3-8-26(25)17-24)29(27-15-16-32-33(18-27)46-22-45-32)9-6-12-34-38-30-10-4-5-11-31(30)47-34/h2-8,10-18,23,28-29H,9,19-22H2,1H3,(H,41,42)(H,43,44)/b12-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062257 (2-({[(E)-5-Benzooxazol-2-yl-2-(4-chloro-phenyl)-1-...) Show SMILES CC(C(C\C=C\c1nc2ccccc2o1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O Show InChI InChI=1S/C36H33ClN2O6/c1-23(30(26-15-17-29(37)18-16-26)9-6-12-33-38-31-10-4-5-11-32(31)45-33)39(34(40)20-28(36(43)44)21-35(41)42)22-24-13-14-25-7-2-3-8-27(25)19-24/h2-8,10-19,23,28,30H,9,20-22H2,1H3,(H,41,42)(H,43,44)/b12-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062249 (CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of FTase in competitive manner with respect to FPP (farnesyl diphosphate) at 6.0 microM FPP and 0.36 microM Ras peptide.				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062253 (2-({[(E)-2-(4-Chloro-phenyl)-1-methyl-5-naphthalen...) Show SMILES CC(C(C\C=C\c1ccc2ccccc2c1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O Show InChI InChI=1S/C39H36ClNO5/c1-26(36(31-17-19-35(40)20-18-31)12-6-7-27-13-15-29-8-2-4-10-32(29)21-27)41(37(42)23-34(39(45)46)24-38(43)44)25-28-14-16-30-9-3-5-11-33(30)22-28/h2-11,13-22,26,34,36H,12,23-25H2,1H3,(H,43,44)(H,45,46)/b7-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062255 (2-({[2,3-Bis-(4-chloro-phenyl)-1-methyl-propyl]-na...) Show SMILES CC(C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O Show InChI InChI=1S/C33H31Cl2NO5/c1-21(30(25-10-14-29(35)15-11-25)17-22-7-12-28(34)13-8-22)36(31(37)18-27(33(40)41)19-32(38)39)20-23-6-9-24-4-2-3-5-26(24)16-23/h2-16,21,27,30H,17-20H2,1H3,(H,38,39)(H,40,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062254 (2-({[2,3-Bis-(4-chloro-phenyl)-1-methyl-propyl]-me...) Show SMILES CC(C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1)N(C)C(=O)CC(CC(O)=O)C(O)=O Show InChI InChI=1S/C23H25Cl2NO5/c1-14(26(2)21(27)12-17(23(30)31)13-22(28)29)20(16-5-9-19(25)10-6-16)11-15-3-7-18(24)8-4-15/h3-10,14,17,20H,11-13H2,1-2H3,(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair