Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leucyl-cystinyl aminopeptidase' and Ligand = 'BDBM50331047'   

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))	BDBM50331047 (2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...) Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	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))	BDBM50331047 (2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...) Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	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))	BDBM50331047 (2-(2-(((5R,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...) Show SMILES N[C@H]1CCSSCC[C@@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+4	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