Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leucyl-cystinyl aminopeptidase' and Ligand = 'BDBM50331045'   

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))	BDBM50331045 ((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-diox...) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1cccnc1 |r| Show InChI InChI=1S/C23H29N5O4S2/c24-19-7-9-33-34-14-20(23(32)26-13-16-2-1-8-25-12-16)28-21(30)11-17(27-22(19)31)10-15-3-5-18(29)6-4-15/h1-6,8,12,17,19-20,29H,7,9-11,13-14,24H2,(H,26,32)(H,27,31)(H,28,30)/t17-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	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))	BDBM50331045 ((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-diox...) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1cccnc1 |r| Show InChI InChI=1S/C23H29N5O4S2/c24-19-7-9-33-34-14-20(23(32)26-13-16-2-1-8-25-12-16)28-21(30)11-17(27-22(19)31)10-15-3-5-18(29)6-4-15/h1-6,8,12,17,19-20,29H,7,9-11,13-14,24H2,(H,26,32)(H,27,31)(H,28,30)/t17-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	633	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))	BDBM50331045 ((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,10-diox...) Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1cccnc1 |r| Show InChI InChI=1S/C23H29N5O4S2/c24-19-7-9-33-34-14-20(23(32)26-13-16-2-1-8-25-12-16)28-21(30)11-17(27-22(19)31)10-15-3-5-18(29)6-4-15/h1-6,8,12,17,19-20,29H,7,9-11,13-14,24H2,(H,26,32)(H,27,31)(H,28,30)/t17-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.42E+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