Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50012360   

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
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM14459 ((+)-4-[2-[4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H...) Show SMILES NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r| Show InChI InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM14457 ((+)-4-(8-Chloro-3,10-dibromo-6,11-dihydro-5H-benzo...) Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1 |r| Show InChI InChI=1S/C26H24Br2ClN3O2/c27-20-12-19-2-1-18-13-21(29)14-22(28)24(18)25(26(19)30-15-20)17-5-7-31(8-6-17)23(33)11-16-3-9-32(34)10-4-16/h3-4,9-10,12-15,17,25H,1-2,5-8,11H2/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117937 ((+)4-(2-{4-[9-bromo-4-chloro-1-methyl-(12R)-3,6,7,...) Show SMILES Cc1c[nH]c2c(Cl)cc3CCc4cc(Br)cnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12 Show InChI InChI=1S/C29H28BrClN4O2/c1-17-15-32-29-23(31)14-20-2-3-21-13-22(30)16-33-28(21)27(26(20)25(17)29)19-6-8-34(9-7-19)24(36)12-18-4-10-35(37)11-5-18/h4-5,10-11,13-16,19,27,32H,2-3,6-9,12H2,1H3/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117932 ((+/-)4-{2-[4-(9-bromo-4-chloro-1-methyl-3,6,7,12-t...) Show SMILES Cc1c[nH]c2c(Cl)cc3CCc4cc(Br)cnc4C(=C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12 |(13.66,-11.28,;13.26,-9.8,;14.73,-10.3,;15.66,-9.06,;14.77,-7.79,;15.1,-6.28,;16.57,-5.82,;13.96,-5.23,;12.49,-5.69,;11.53,-4.49,;9.99,-4.49,;9.04,-5.7,;7.57,-5.27,;6.45,-6.32,;4.98,-5.88,;6.81,-7.82,;8.27,-8.26,;9.39,-7.21,;10.76,-7.86,;10.76,-9.4,;12.09,-10.18,;12.09,-11.72,;10.76,-12.48,;9.45,-11.72,;9.45,-10.18,;10.76,-14.02,;9.43,-14.79,;12.11,-14.79,;12.11,-16.33,;10.76,-17.1,;10.76,-18.64,;12.09,-19.41,;12.09,-20.95,;13.44,-18.63,;13.42,-17.09,;12.16,-7.19,;13.28,-8.24,)| Show InChI InChI=1S/C29H26BrClN4O2/c1-17-15-32-29-23(31)14-20-2-3-21-13-22(30)16-33-28(21)27(26(20)25(17)29)19-6-8-34(9-7-19)24(36)12-18-4-10-35(37)11-5-18/h4-5,10-11,13-16,32H,2-3,6-9,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117931 ((-)4-(2-{4-[4-chloro-1-methyl-(12R)-3,6,7,12-tetra...) Show SMILES Cc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12 Show InChI InChI=1S/C29H29ClN4O2/c1-18-17-32-29-23(30)16-22-5-4-21-3-2-10-31-28(21)27(26(22)25(18)29)20-8-11-33(12-9-20)24(35)15-19-6-13-34(36)14-7-19/h2-3,6-7,10,13-14,16-17,20,27,32H,4-5,8-9,11-12,15H2,1H3/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117931 ((-)4-(2-{4-[4-chloro-1-methyl-(12R)-3,6,7,12-tetra...) Show SMILES Cc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12 Show InChI InChI=1S/C29H29ClN4O2/c1-18-17-32-29-23(30)16-22-5-4-21-3-2-10-31-28(21)27(26(22)25(18)29)20-8-11-33(12-9-20)24(35)15-19-6-13-34(36)14-7-19/h2-3,6-7,10,13-14,16-17,20,27,32H,4-5,8-9,11-12,15H2,1H3/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117933 ((+)1-[4-(10-Bromo-8-chloro-6,11-dihydro-5H-benzo[5...) Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ncccc3CCc3cc(Cl)cc(Br)c23)cc1 Show InChI InChI=1S/C26H25BrClN3O2/c27-22-16-21(28)15-20-4-3-19-2-1-9-29-26(19)25(24(20)22)18-7-10-30(11-8-18)23(32)14-17-5-12-31(33)13-6-17/h1-2,5-6,9,12-13,15-16,18,25H,3-4,7-8,10-11,14H2/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117939 ((+)1-[4-(3-Bromo-8-chloro-6,11-dihydro-5H-benzo[5,...) Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc23)cc1 Show InChI InChI=1S/C26H25BrClN3O2/c27-21-14-20-2-1-19-15-22(28)3-4-23(19)25(26(20)29-16-21)18-7-9-30(10-8-18)24(32)13-17-5-11-31(33)12-6-17/h3-6,11-12,14-16,18,25H,1-2,7-10,13H2/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117935 ((+)4-{2-[4-(4-chloro-3,6,7,12-tetrahydropyrido[2',...) Show SMILES [O-][n+]1ccc(CC(=O)N2CCC(CC2)C2c3ncccc3CCc3cc(Cl)c4[nH]ccc4c23)cc1 Show InChI InChI=1S/C28H27ClN4O2/c29-23-17-21-4-3-20-2-1-10-30-27(20)26(25(21)22-5-11-31-28(22)23)19-8-12-32(13-9-19)24(34)16-18-6-14-33(35)15-7-18/h1-2,5-7,10-11,14-15,17,19,26,31H,3-4,8-9,12-13,16H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117936 ((+)4-(2-{4-[4-chloro-1-propyl-(12R)-3,6,7,12-tetra...) Show SMILES CCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12 Show InChI InChI=1S/C31H33ClN4O2/c1-2-4-24-19-34-31-25(32)18-23-7-6-22-5-3-12-33-30(22)28(27(23)29(24)31)21-10-13-35(14-11-21)26(37)17-20-8-15-36(38)16-9-20/h3,5,8-9,12,15-16,18-19,21,28,34H,2,4,6-7,10-11,13-14,17H2,1H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117938 ((+)4-(2-{4-[1-butyl-4-chloro-(12R)-3,6,7,12-tetrah...) Show SMILES CCCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12 Show InChI InChI=1S/C32H35ClN4O2/c1-2-3-5-25-20-35-32-26(33)19-24-8-7-23-6-4-13-34-31(23)29(28(24)30(25)32)22-11-14-36(15-12-22)27(38)18-21-9-16-37(39)17-10-21/h4,6,9-10,13,16-17,19-20,22,29,35H,2-3,5,7-8,11-12,14-15,18H2,1H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117938 ((+)4-(2-{4-[1-butyl-4-chloro-(12R)-3,6,7,12-tetrah...) Show SMILES CCCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12 Show InChI InChI=1S/C32H35ClN4O2/c1-2-3-5-25-20-35-32-26(33)19-24-8-7-23-6-4-13-34-31(23)29(28(24)30(25)32)22-11-14-36(15-12-22)27(38)18-21-9-16-37(39)17-10-21/h4,6,9-10,13,16-17,19-20,22,29,35H,2-3,5,7-8,11-12,14-15,18H2,1H3/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>180	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117934 ((+ )1-[4-(4-chloro-1,3-dimethyl-3,6,7,12-tetrahydr...) Show SMILES Cc1cn(C)c2c(Cl)cc3CCc4cccnc4C(C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12 Show InChI InChI=1S/C30H31ClN4O2/c1-19-18-33(2)30-24(31)17-23-6-5-22-4-3-11-32-29(22)28(27(23)26(19)30)21-9-12-34(13-10-21)25(36)16-20-7-14-35(37)15-8-20/h3-4,7-8,11,14-15,17-18,21,28H,5-6,9-10,12-13,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>190	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50117936 ((+)4-(2-{4-[4-chloro-1-propyl-(12R)-3,6,7,12-tetra...) Show SMILES CCCc1c[nH]c2c(Cl)cc3CCc4cccnc4[C@H](C4CCN(CC4)C(=O)Cc4cc[n+]([O-])cc4)c3c12 Show InChI InChI=1S/C31H33ClN4O2/c1-2-4-24-19-34-31-25(32)18-23-7-6-22-5-3-12-33-30(22)28(27(23)29(24)31)21-10-13-35(14-11-21)26(37)17-20-8-15-36(38)16-9-20/h3,5,8-9,12,15-16,18-19,21,28,34H,2,4,6-7,10-11,13-14,17H2,1H3/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>190	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of Protein farnesyltransferase in Cos-1 monkey kidney cells expressing H-Ras-val				J Med Chem 45: 3854-64 (2002) BindingDB Entry DOI: 10.7270/Q2TD9WPB
					More data for this Ligand-Target Pair