Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha' and Ligand = 'BDBM50055612'   

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))	BDBM50055612 ((4-{2-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-e...) Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)C(Cc1ccc(CP(O)(O)=O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O Show InChI InChI=1S/C48H54N9O11P/c1-30(43(49)58)53-44(59)40(21-35-23-51-38-15-9-8-14-37(35)38)55-47(62)42(27-67-25-32-10-4-2-5-11-32)56-45(60)39(20-31-16-18-34(19-17-31)28-69(64,65)66)54-46(61)41(22-36-24-50-29-52-36)57-48(63)68-26-33-12-6-3-7-13-33/h2-19,23-24,29-30,39-42,51H,20-22,25-28H2,1H3,(H2,49,58)(H,50,52)(H,53,59)(H,54,61)(H,55,62)(H,56,60)(H,57,63)(H2,64,65,66)/t30-,39?,40+,41+,42+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of rat brain farnesyltransferase in 50 mM HEPES buffer				J Med Chem 40: 192-200 (1997) Article DOI: 10.1021/jm960602m BindingDB Entry DOI: 10.7270/Q2JW8FJ4
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50055612 ((4-{2-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-e...) Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)C(Cc1ccc(CP(O)(O)=O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O Show InChI InChI=1S/C48H54N9O11P/c1-30(43(49)58)53-44(59)40(21-35-23-51-38-15-9-8-14-37(35)38)55-47(62)42(27-67-25-32-10-4-2-5-11-32)56-45(60)39(20-31-16-18-34(19-17-31)28-69(64,65)66)54-46(61)41(22-36-24-50-29-52-36)57-48(63)68-26-33-12-6-3-7-13-33/h2-19,23-24,29-30,39-42,51H,20-22,25-28H2,1H3,(H2,49,58)(H,50,52)(H,53,59)(H,54,61)(H,55,62)(H,56,60)(H,57,63)(H2,64,65,66)/t30-,39?,40+,41+,42+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of rat brain farnesyltransferase in 30 mM potassium phosphate buffer				J Med Chem 40: 192-200 (1997) Article DOI: 10.1021/jm960602m BindingDB Entry DOI: 10.7270/Q2JW8FJ4
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50055612 ((4-{2-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-e...) Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)C(Cc1ccc(CP(O)(O)=O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O Show InChI InChI=1S/C48H54N9O11P/c1-30(43(49)58)53-44(59)40(21-35-23-51-38-15-9-8-14-37(35)38)55-47(62)42(27-67-25-32-10-4-2-5-11-32)56-45(60)39(20-31-16-18-34(19-17-31)28-69(64,65)66)54-46(61)41(22-36-24-50-29-52-36)57-48(63)68-26-33-12-6-3-7-13-33/h2-19,23-24,29-30,39-42,51H,20-22,25-28H2,1H3,(H2,49,58)(H,50,52)(H,53,59)(H,54,61)(H,55,62)(H,56,60)(H,57,63)(H2,64,65,66)/t30-,39?,40+,41+,42+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of rat brain farnesyltransferase in 5 mM potassium phosphate and 50 mM HEPES buffer				J Med Chem 40: 192-200 (1997) Article DOI: 10.1021/jm960602m BindingDB Entry DOI: 10.7270/Q2JW8FJ4
					More data for this Ligand-Target Pair