Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leucyl-cystinyl aminopeptidase' and Ligand = 'BDBM50331037'   

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
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50331037 ((S)-2-((S)-1-((S)-2-((5R,8S,11R)-11-amino-8-(4-hyd...) Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C37H46N8O8S2/c38-26-12-15-54-55-16-13-27(41-34(49)28(42-32(26)47)17-23-8-10-25(46)11-9-23)33(48)43-29(19-24-20-39-21-40-24)36(51)45-14-4-7-31(45)35(50)44-30(37(52)53)18-22-5-2-1-3-6-22/h1-3,5-6,8-11,20-21,26-31,46H,4,7,12-19,38H2,(H,39,40)(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,52,53)/t26-,27-,28+,29+,30+,31+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...				J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50331037 ((S)-2-((S)-1-((S)-2-((5R,8S,11R)-11-amino-8-(4-hyd...) Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C37H46N8O8S2/c38-26-12-15-54-55-16-13-27(41-34(49)28(42-32(26)47)17-23-8-10-25(46)11-9-23)33(48)43-29(19-24-20-39-21-40-24)36(51)45-14-4-7-31(45)35(50)44-30(37(52)53)18-22-5-2-1-3-6-22/h1-3,5-6,8-11,20-21,26-31,46H,4,7,12-19,38H2,(H,39,40)(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,52,53)/t26-,27-,28+,29+,30+,31+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells				J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50331037 ((S)-2-((S)-1-((S)-2-((5R,8S,11R)-11-amino-8-(4-hyd...) Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C37H46N8O8S2/c38-26-12-15-54-55-16-13-27(41-34(49)28(42-32(26)47)17-23-8-10-25(46)11-9-23)33(48)43-29(19-24-20-39-21-40-24)36(51)45-14-4-7-31(45)35(50)44-30(37(52)53)18-22-5-2-1-3-6-22/h1-3,5-6,8-11,20-21,26-31,46H,4,7,12-19,38H2,(H,39,40)(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,52,53)/t26-,27-,28+,29+,30+,31+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in absence of 30 mM EDTA/600 uM 1,...				J Med Chem 53: 8059-71 (2010) Article DOI: 10.1021/jm100793t BindingDB Entry DOI: 10.7270/Q23B60C6
					More data for this Ligand-Target Pair