BDBM50245349 CHEMBL4089555

SMILES: CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=NJCHEVDWMWFDNQ-CEXWTWQISA-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 = 50245349   

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
Endoplasmic reticulum aminopeptidase 1 (Homo sapiens (Human))	BDBM50245349 (CHEMBL4089555) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C21H34N3O4P/c1-15(2)13-17(21(26)24-12-6-9-18(24)20(23)25)14-29(27,28)19(22)11-10-16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,6,9-14,22H2,1-2H3,(H2,23,25)(H,27,28)/t17-,18+,19-/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	949	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
Leucyl-cystinyl aminopeptidase (Homo sapiens (Human))	BDBM50245349 (CHEMBL4089555) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C21H34N3O4P/c1-15(2)13-17(21(26)24-12-6-9-18(24)20(23)25)14-29(27,28)19(22)11-10-16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,6,9-14,22H2,1-2H3,(H2,23,25)(H,27,28)/t17-,18+,19-/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	14	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
Endoplasmic reticulum aminopeptidase 2 (Homo sapiens (Human))	BDBM50245349 (CHEMBL4089555) Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C21H34N3O4P/c1-15(2)13-17(21(26)24-12-6-9-18(24)20(23)25)14-29(27,28)19(22)11-10-16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,6,9-14,22H2,1-2H3,(H2,23,25)(H,27,28)/t17-,18+,19-/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	144	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