Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leucyl-cystinyl aminopeptidase' and Ligand = 'BDBM50331040'   

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))	BDBM50331040 ((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H30N4O4S2/c25-19-10-12-33-34-13-11-20(23(31)26-15-17-4-2-1-3-5-17)27-24(32)21(28-22(19)30)14-16-6-8-18(29)9-7-16/h1-9,19-21,29H,10-15,25H2,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	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))	BDBM50331040 ((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H30N4O4S2/c25-19-10-12-33-34-13-11-20(23(31)26-15-17-4-2-1-3-5-17)27-24(32)21(28-22(19)30)14-16-6-8-18(29)9-7-16/h1-9,19-21,29H,10-15,25H2,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	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))	BDBM50331040 ((5S,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...) Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H30N4O4S2/c25-19-10-12-33-34-13-11-20(23(31)26-15-17-4-2-1-3-5-17)27-24(32)21(28-22(19)30)14-16-6-8-18(29)9-7-16/h1-9,19-21,29H,10-15,25H2,(H,26,31)(H,27,32)(H,28,30)/t19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+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