Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leucyl-cystinyl aminopeptidase' and Ligand = 'BDBM50331035'   

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))	BDBM50331035 ((S)-2-((S)-1-((S)-2-((2S,3S)-2-((S)-2-amino-3-meth...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)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/C31H45N7O6/c1-5-19(4)26(37-28(40)25(32)18(2)3)29(41)35-22(15-21-16-33-17-34-21)30(42)38-13-9-12-24(38)27(39)36-23(31(43)44)14-20-10-7-6-8-11-20/h6-8,10-11,16-19,22-26H,5,9,12-15,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t19-,22-,23-,24-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	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))	BDBM50331035 ((S)-2-((S)-1-((S)-2-((2S,3S)-2-((S)-2-amino-3-meth...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)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/C31H45N7O6/c1-5-19(4)26(37-28(40)25(32)18(2)3)29(41)35-22(15-21-16-33-17-34-21)30(42)38-13-9-12-24(38)27(39)36-23(31(43)44)14-20-10-7-6-8-11-20/h6-8,10-11,16-19,22-26H,5,9,12-15,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t19-,22-,23-,24-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	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))	BDBM50331035 ((S)-2-((S)-1-((S)-2-((2S,3S)-2-((S)-2-amino-3-meth...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)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/C31H45N7O6/c1-5-19(4)26(37-28(40)25(32)18(2)3)29(41)35-22(15-21-16-33-17-34-21)30(42)38-13-9-12-24(38)27(39)36-23(31(43)44)14-20-10-7-6-8-11-20/h6-8,10-11,16-19,22-26H,5,9,12-15,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t19-,22-,23-,24-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+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