Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50009200   

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))	BDBM50081221 (4-{5-[(S)-2-Butyl-4-(3-chloro-phenyl)-5-oxo-pipera...) Show SMILES CCCC[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C26H28ClN5O/c1-2-3-6-24-17-32(23-7-4-5-22(27)12-23)26(33)18-30(24)16-25-14-29-19-31(25)15-21-10-8-20(13-28)9-11-21/h4-5,7-12,14,19,24H,2-3,6,15-18H2,1H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50081212 (4-{5-[(S)-2-Butyl-5-oxo-4-(3-trifluoromethyl-pheno...) Show SMILES CCCC[C@H]1CN(Oc2cccc(c2)C(F)(F)F)C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C27H28F3N5O2/c1-2-3-6-23-17-35(37-25-7-4-5-22(12-25)27(28,29)30)26(36)18-33(23)16-24-14-32-19-34(24)15-21-10-8-20(13-31)9-11-21/h4-5,7-12,14,19,23H,2-3,6,15-18H2,1H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>0.150	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50081215 (4-{5-[(S)-4-(3-Chloro-phenyl)-2-ethanesulfonylmeth...) Show SMILES CCS(=O)(=O)C[C@@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C25H26ClN5O3S/c1-2-35(33,34)17-24-15-31(22-5-3-4-21(26)10-22)25(32)16-29(24)14-23-12-28-18-30(23)13-20-8-6-19(11-27)7-9-20/h3-10,12,18,24H,2,13-17H2,1H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50081217 (4-{5-[(S)-2-Butyl-4-(2,3-dimethyl-phenyl)-5-oxo-pi...) Show SMILES CCCC[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(C)c1C Show InChI InChI=1S/C28H33N5O/c1-4-5-8-25-18-33(27-9-6-7-21(2)22(27)3)28(34)19-31(25)17-26-15-30-20-32(26)16-24-12-10-23(14-29)11-13-24/h6-7,9-13,15,20,25H,4-5,8,16-19H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50081214 (CHEMBL340493 | [(S)-4-((S)-2-Amino-2-mercapto-ethy...) Show SMILES CCCC[C@H]1CN(CCN1C[C@@H](N)S)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H29N3OS/c1-2-3-9-17-14-24(13-12-23(17)15-20(22)26)21(25)19-11-6-8-16-7-4-5-10-18(16)19/h4-8,10-11,17,20,26H,2-3,9,12-15,22H2,1H3/t17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50081213 (4-{5-[(S)-4-(3-Chloro-phenyl)-2-methyl-5-oxo-piper...) Show SMILES C[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C23H22ClN5O/c1-17-12-29(21-4-2-3-20(24)9-21)23(30)15-27(17)14-22-11-26-16-28(22)13-19-7-5-18(10-25)6-8-19/h2-9,11,16-17H,12-15H2,1H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50081218 ((S)-4-((5-((4-(1-naphthoyl)-2-butylpiperazin-1-yl)...) Show SMILES CCCC[C@H]1CN(CCN1Cc1cncn1Cc1ccc(cc1)C#N)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C31H33N5O/c1-2-3-9-27-21-35(31(37)30-11-6-8-26-7-4-5-10-29(26)30)17-16-34(27)22-28-19-33-23-36(28)20-25-14-12-24(18-32)13-15-25/h4-8,10-15,19,23,27H,2-3,9,16-17,20-22H2,1H3/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50081216 (4-{5-[(R)-4-(3-Chloro-phenyl)-2-methyl-5-oxo-piper...) Show SMILES C[C@@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C23H22ClN5O/c1-17-12-29(21-4-2-3-20(24)9-21)23(30)15-27(17)14-22-11-26-16-28(22)13-19-7-5-18(10-25)6-8-19/h2-9,11,16-17H,12-15H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50081219 (CHEMBL125037 | [(S)-4-(3-Benzyl-3H-imidazol-4-ylme...) Show SMILES CCCC[C@H]1CN(CCN1Cc1cncn1Cc1ccccc1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C30H34N4O/c1-2-3-14-26-21-33(30(35)29-16-9-13-25-12-7-8-15-28(25)29)18-17-32(26)22-27-19-31-23-34(27)20-24-10-5-4-6-11-24/h4-13,15-16,19,23,26H,2-3,14,17-18,20-22H2,1H3/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	495	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta (Homo sapiens (Human))	BDBM50081220 (CHEMBL125070 | [(S)-3-Butyl-4-(3H-imidazol-4-ylmet...) Show SMILES CCCC[C@H]1CN(CCN1Cc1cnc[nH]1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C23H28N4O/c1-2-3-9-20-16-27(13-12-26(20)15-19-14-24-17-25-19)23(28)22-11-6-8-18-7-4-5-10-21(18)22/h4-8,10-11,14,17,20H,2-3,9,12-13,15-16H2,1H3,(H,24,25)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-FPP incorporation into recombinant human K-Ras by Farnesyltransferase				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50081217 (4-{5-[(S)-2-Butyl-4-(2,3-dimethyl-phenyl)-5-oxo-pi...) Show SMILES CCCC[C@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(C)c1C Show InChI InChI=1S/C28H33N5O/c1-4-5-8-25-18-33(27-9-6-7-21(2)22(27)3)28(34)19-31(25)17-26-15-30-20-32(26)16-24-12-10-23(14-29)11-13-24/h6-7,9-13,15,20,25H,4-5,8,16-19H2,1-3H3/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-GGPP incorporation into recombinant human RhoA by Geranylgeranyl transferase type I				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50081212 (4-{5-[(S)-2-Butyl-5-oxo-4-(3-trifluoromethyl-pheno...) Show SMILES CCCC[C@H]1CN(Oc2cccc(c2)C(F)(F)F)C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N Show InChI InChI=1S/C27H28F3N5O2/c1-2-3-6-23-17-35(37-25-7-4-5-22(12-25)27(28,29)30)26(36)18-33(23)16-24-14-32-19-34(24)15-21-10-8-20(13-31)9-11-21/h4-5,7-12,14,19,23H,2-3,6,15-18H2,1H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-GGPP incorporation into recombinant human RhoA by Geranylgeranyl transferase type I				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50081215 (4-{5-[(S)-4-(3-Chloro-phenyl)-2-ethanesulfonylmeth...) Show SMILES CCS(=O)(=O)C[C@@H]1CN(C(=O)CN1Cc1cncn1Cc1ccc(cc1)C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C25H26ClN5O3S/c1-2-35(33,34)17-24-15-31(22-5-3-4-21(26)10-22)25(32)16-29(24)14-23-12-28-18-30(23)13-20-8-6-19(11-27)7-9-20/h3-10,12,18,24H,2,13-17H2,1H3/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-GGPP incorporation into recombinant human RhoA by Geranylgeranyl transferase type I				J Med Chem 42: 3779-84 (1999) BindingDB Entry DOI: 10.7270/Q2F47NB1
					More data for this Ligand-Target Pair