BDBM50245382 CHEMBL4080145

SMILES: COc1ccccc1-c1cc(C[C@H](CP(O)(=O)[C@@H](N)CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)on1

InChI Key: InChIKey=PAISIGRMLVYIDB-SHFQUTHWSA-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 = 50245382   

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))	BDBM50245382 (CHEMBL4080145) Show SMILES COc1ccccc1-c1cc(C[C@H](CP(O)(=O)[C@@H](N)CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)on1 |r| Show InChI InChI=1S/C32H37N4O6P/c1-41-29-15-9-8-14-26(29)27-20-25(42-36-27)19-24(21-43(39,40)30(33)17-16-22-10-4-2-5-11-22)32(38)35-28(31(34)37)18-23-12-6-3-7-13-23/h2-15,20,24,28,30H,16-19,21,33H2,1H3,(H2,34,37)(H,35,38)(H,39,40)/t24-,28+,30-/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	178	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))	BDBM50245382 (CHEMBL4080145) Show SMILES COc1ccccc1-c1cc(C[C@H](CP(O)(=O)[C@@H](N)CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)on1 |r| Show InChI InChI=1S/C32H37N4O6P/c1-41-29-15-9-8-14-26(29)27-20-25(42-36-27)19-24(21-43(39,40)30(33)17-16-22-10-4-2-5-11-22)32(38)35-28(31(34)37)18-23-12-6-3-7-13-23/h2-15,20,24,28,30H,16-19,21,33H2,1H3,(H2,34,37)(H,35,38)(H,39,40)/t24-,28+,30-/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	13	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))	BDBM50245382 (CHEMBL4080145) Show SMILES COc1ccccc1-c1cc(C[C@H](CP(O)(=O)[C@@H](N)CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)on1 |r| Show InChI InChI=1S/C32H37N4O6P/c1-41-29-15-9-8-14-26(29)27-20-25(42-36-27)19-24(21-43(39,40)30(33)17-16-22-10-4-2-5-11-22)32(38)35-28(31(34)37)18-23-12-6-3-7-13-23/h2-15,20,24,28,30H,16-19,21,33H2,1H3,(H2,34,37)(H,35,38)(H,39,40)/t24-,28+,30-/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	130	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