BDBM50242871 2-(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-aminohexanamido)benzamido)-3-methylpentanamido)methyl)phenyl)acetic acid::CHEMBL355434

SMILES: CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H]([C@H](C)CC)C(=O)NCc1ccccc1CC(O)=O

InChI Key: InChIKey=SPPINDVOIFWTKM-UBUDTRSQSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50242871   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50242871 (2-(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-ami...) Show SMILES CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H]([C@H](C)CC)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI InChI=1S/C35H44N4O6/c1-4-6-11-30(36)34(44)38-28-18-24(16-23-12-14-29(40)15-13-23)17-27(19-28)33(43)39-32(22(3)5-2)35(45)37-21-26-10-8-7-9-25(26)20-31(41)42/h7-10,12-15,17-19,22,30,32,40H,4-6,11,16,20-21,36H2,1-3H3,(H,37,45)(H,38,44)(H,39,43)(H,41,42)/t22-,30+,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 [125I]Angiotensin 4 from human recombinant IRAP expressed in CHOK1 cells				Bioorg Med Chem 16: 6924-35 (2008) Article DOI: 10.1016/j.bmc.2008.05.046 BindingDB Entry DOI: 10.7270/Q2B857XC
					More data for this Ligand-Target Pair
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50242871 (2-(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-ami...) Show SMILES CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H]([C@H](C)CC)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI InChI=1S/C35H44N4O6/c1-4-6-11-30(36)34(44)38-28-18-24(16-23-12-14-29(40)15-13-23)17-27(19-28)33(43)39-32(22(3)5-2)35(45)37-21-26-10-8-7-9-25(26)20-31(41)42/h7-10,12-15,17-19,22,30,32,40H,4-6,11,16,20-21,36H2,1-3H3,(H,37,45)(H,38,44)(H,39,43)(H,41,42)/t22-,30+,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	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 human recombinant IRAP expressed in HEK293 cells				Bioorg Med Chem 16: 6924-35 (2008) Article DOI: 10.1016/j.bmc.2008.05.046 BindingDB Entry DOI: 10.7270/Q2B857XC
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50242871 (2-(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-ami...) Show SMILES CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H]([C@H](C)CC)C(=O)NCc1ccccc1CC(O)=O |r| Show InChI InChI=1S/C35H44N4O6/c1-4-6-11-30(36)34(44)38-28-18-24(16-23-12-14-29(40)15-13-23)17-27(19-28)33(43)39-32(22(3)5-2)35(45)37-21-26-10-8-7-9-25(26)20-31(41)42/h7-10,12-15,17-19,22,30,32,40H,4-6,11,16,20-21,36H2,1-3H3,(H,37,45)(H,38,44)(H,39,43)(H,41,42)/t22-,30+,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	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 human recombinant APN expressed in HEK293 cells				Bioorg Med Chem 16: 6924-35 (2008) Article DOI: 10.1016/j.bmc.2008.05.046 BindingDB Entry DOI: 10.7270/Q2B857XC
					More data for this Ligand-Target Pair