BDBM50245446 CHEMBL4094131

SMILES: N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](Cc1cc(cc(c1)-c1ccccc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=KAKJFMITKIMUAY-NVLDWDGTSA-N

Data: 3 IC50

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 = 50245446   

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
Aminopeptidase (Homo sapiens (Human))	BDBM50245446 (CHEMBL4094131) Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](Cc1cc(cc(c1)-c1ccccc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C40H42N3O4P/c41-38(22-21-29-13-5-1-6-14-29)48(46,47)28-36(40(45)43-37(39(42)44)26-30-15-7-2-8-16-30)25-31-23-34(32-17-9-3-10-18-32)27-35(24-31)33-19-11-4-12-20-33/h1-20,23-24,27,36-38H,21-22,25-26,28,41H2,(H2,42,44)(H,43,45)(H,46,47)/t36-,37+,38-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of ERAP1 (unknown origin) expressed in Hi5 cells by in vitro fluorimetric assay				J Med Chem 59: 9107-9123 (2016) Article DOI: 10.1021/acs.jmedchem.6b01031 BindingDB Entry DOI: 10.7270/Q2PK0JJG
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50245446 (CHEMBL4094131) Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](Cc1cc(cc(c1)-c1ccccc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C40H42N3O4P/c41-38(22-21-29-13-5-1-6-14-29)48(46,47)28-36(40(45)43-37(39(42)44)26-30-15-7-2-8-16-30)25-31-23-34(32-17-9-3-10-18-32)27-35(24-31)33-19-11-4-12-20-33/h1-20,23-24,27,36-38H,21-22,25-26,28,41H2,(H2,42,44)(H,43,45)(H,46,47)/t36-,37+,38-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of IRAP (unknown origin) expressed in HEK 293S GnTI(-) cells by in vitro fluorimetric assay				J Med Chem 59: 9107-9123 (2016) Article DOI: 10.1021/acs.jmedchem.6b01031 BindingDB Entry DOI: 10.7270/Q2PK0JJG
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50245446 (CHEMBL4094131) Show SMILES N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](Cc1cc(cc(c1)-c1ccccc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C40H42N3O4P/c41-38(22-21-29-13-5-1-6-14-29)48(46,47)28-36(40(45)43-37(39(42)44)26-30-15-7-2-8-16-30)25-31-23-34(32-17-9-3-10-18-32)27-35(24-31)33-19-11-4-12-20-33/h1-20,23-24,27,36-38H,21-22,25-26,28,41H2,(H2,42,44)(H,43,45)(H,46,47)/t36-,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of ERAP2 (unknown origin) expressed in Hi5 cells by in vitro fluorimetric assay				J Med Chem 59: 9107-9123 (2016) Article DOI: 10.1021/acs.jmedchem.6b01031 BindingDB Entry DOI: 10.7270/Q2PK0JJG
					More data for this Ligand-Target Pair