BDBM50242861 (S)-2-((S)-1-((S)-2-((2S,3S)-2-(3-(4-hydroxybenzyl)-5-((S)-2-amino-3-methylbutanamido)benzamido)-3-methylpentanamido)-3-(1H-imidazol-5-yl)propanoyl)pyrrolidine-2-carboxamido)-3-phenylpropanoic acid::CHEMBL504736

SMILES: CC[C@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=UPEOODADRHGIFQ-OGAWKEOBSA-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 = 50242861   

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))	BDBM50242861 ((S)-2-((S)-1-((S)-2-((2S,3S)-2-(3-(4-hydroxybenzyl...) Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)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/C45H56N8O8/c1-5-27(4)39(52-40(55)31-19-30(18-29-13-15-34(54)16-14-29)20-32(22-31)49-42(57)38(46)26(2)3)43(58)50-35(23-33-24-47-25-48-33)44(59)53-17-9-12-37(53)41(56)51-36(45(60)61)21-28-10-7-6-8-11-28/h6-8,10-11,13-16,19-20,22,24-27,35-39,54H,5,9,12,17-18,21,23,46H2,1-4H3,(H,47,48)(H,49,57)(H,50,58)(H,51,56)(H,52,55)(H,60,61)/t27-,35-,36-,37-,38-,39-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+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))	BDBM50242861 ((S)-2-((S)-1-((S)-2-((2S,3S)-2-(3-(4-hydroxybenzyl...) Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)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/C45H56N8O8/c1-5-27(4)39(52-40(55)31-19-30(18-29-13-15-34(54)16-14-29)20-32(22-31)49-42(57)38(46)26(2)3)43(58)50-35(23-33-24-47-25-48-33)44(59)53-17-9-12-37(53)41(56)51-36(45(60)61)21-28-10-7-6-8-11-28/h6-8,10-11,13-16,19-20,22,24-27,35-39,54H,5,9,12,17-18,21,23,46H2,1-4H3,(H,47,48)(H,49,57)(H,50,58)(H,51,56)(H,52,55)(H,60,61)/t27-,35-,36-,37-,38-,39-/m0/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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description 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
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50242861 ((S)-2-((S)-1-((S)-2-((2S,3S)-2-(3-(4-hydroxybenzyl...) Show SMILES CC[C@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)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/C45H56N8O8/c1-5-27(4)39(52-40(55)31-19-30(18-29-13-15-34(54)16-14-29)20-32(22-31)49-42(57)38(46)26(2)3)43(58)50-35(23-33-24-47-25-48-33)44(59)53-17-9-12-37(53)41(56)51-36(45(60)61)21-28-10-7-6-8-11-28/h6-8,10-11,13-16,19-20,22,24-27,35-39,54H,5,9,12,17-18,21,23,46H2,1-4H3,(H,47,48)(H,49,57)(H,50,58)(H,51,56)(H,52,55)(H,60,61)/t27-,35-,36-,37-,38-,39-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+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