Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50007456   

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
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM50034993 ((S)-6-Amino-2-[(S)-3-hydroxy-2-(2-{4-[4-(2-methyl-...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 Show InChI InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle and Company Curated by ChEMBL					Assay Description The Compound was tested for the inhibition potency against C. albicans N-myristoyltransferase (NMT) and reported as apparent Ki				J Med Chem 41: 996-1000 (1998) Article DOI: 10.1021/jm980001q BindingDB Entry DOI: 10.7270/Q27080KF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM50291976 (6-Amino-2-(2-{2-[2-[2-(2-amino-propionylamino)-4-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C39H66N10O11/c1-20(2)15-27(45-33(54)22(5)41)37(58)47-29(17-24-10-12-25(52)13-11-24)36(57)43-23(6)34(55)49-31(19-51)39(60)44-26(9-7-8-14-40)35(56)46-28(16-21(3)4)38(59)48-30(18-50)32(42)53/h10-13,20-23,26-31,50-52H,7-9,14-19,40-41H2,1-6H3,(H2,42,53)(H,43,57)(H,44,60)(H,45,54)(H,46,56)(H,47,58)(H,48,59)(H,49,55)/t22-,23-,26-,27-,28-,29-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle and Company Curated by ChEMBL					Assay Description The Compound was tested for the inhibition potency against C. albicans N-myristoyltransferase (NMT) and reported as apparent Ki				J Med Chem 41: 996-1000 (1998) Article DOI: 10.1021/jm980001q BindingDB Entry DOI: 10.7270/Q27080KF
					More data for this Ligand-Target Pair				3D Structure (docked)
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM50063543 (CHEMBL6242 | N-{(R)-2-[3-(3-Amino-propyl)-4-(2-cyc...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCN)c2)cc1 Show InChI InChI=1S/C36H52N4O3/c1-28-38-20-22-40(28)21-6-5-10-30-12-14-31(15-13-30)26-36(42)39-34(27-41)25-32-16-17-35(33(24-32)11-7-19-37)43-23-18-29-8-3-2-4-9-29/h12-17,20,22,24,29,34,41H,2-11,18-19,21,23,25-27,37H2,1H3,(H,39,42)/t34-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle and Company Curated by ChEMBL					Assay Description compound was tested for the inhibition potency against C. albicans N-myristoyltransferase (NMT) using peptide substrate GNAASARR-NH2 at its apparent ...				J Med Chem 41: 996-1000 (1998) Article DOI: 10.1021/jm980001q BindingDB Entry DOI: 10.7270/Q27080KF
					More data for this Ligand-Target Pair
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM50063542 (CHEMBL6227 | N-{(S)-2-[3-(4-Amino-butyl)-4-(2-cycl...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCCN)c2)cc1 Show InChI InChI=1S/C37H54N4O3/c1-29-39-21-23-41(29)22-8-6-11-31-13-15-32(16-14-31)27-37(43)40-35(28-42)26-33-17-18-36(34(25-33)12-5-7-20-38)44-24-19-30-9-3-2-4-10-30/h13-18,21,23,25,30,35,42H,2-12,19-20,22,24,26-28,38H2,1H3,(H,40,43)/t35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle and Company Curated by ChEMBL					Assay Description compound was tested for the inhibition potency against C. albicans N-myristoyltransferase (NMT) using peptide substrate GNAASARR-NH2 at its apparent ...				J Med Chem 41: 996-1000 (1998) Article DOI: 10.1021/jm980001q BindingDB Entry DOI: 10.7270/Q27080KF
					More data for this Ligand-Target Pair				3D Structure (docked)
Glycylpeptide N-tetradecanoyltransferase (Candida albicans (Yeast))	BDBM50063541 (CHEMBL263777 | N-{(S)-2-[3-(3-Amino-propyl)-4-(2-c...) Show SMILES Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCN)c2)cc1 Show InChI InChI=1S/C36H52N4O3/c1-28-38-20-22-40(28)21-6-5-10-30-12-14-31(15-13-30)26-36(42)39-34(27-41)25-32-16-17-35(33(24-32)11-7-19-37)43-23-18-29-8-3-2-4-9-29/h12-17,20,22,24,29,34,41H,2-11,18-19,21,23,25-27,37H2,1H3,(H,39,42)/t34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle and Company Curated by ChEMBL					Assay Description Compound was tested for the inhibition potency against C. albicans N-myristoyltransferase (NMT) using peptide substrate GNAASARR-NH2 at its apparent ...				J Med Chem 41: 996-1000 (1998) Article DOI: 10.1021/jm980001q BindingDB Entry DOI: 10.7270/Q27080KF
					More data for this Ligand-Target Pair