BDBM50396555 CHEMBL2171396

SMILES: COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C

InChI Key: InChIKey=RQQTYVIPHKLYFS-INIZCTEOSA-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 = 50396555   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50396555 (CHEMBL2171396) Show SMILES COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r| Show InChI InChI=1S/C21H20FN3O4/c1-13-7-3-4-8-14(13)16(12-20(26)27)23-21(28)17-11-19(29-2)25(24-17)18-10-6-5-9-15(18)22/h3-11,16H,12H2,1-2H3,(H,23,28)(H,26,27)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 55: 7636-49 (2012) Article DOI: 10.1021/jm300663n BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50396555 (CHEMBL2171396) Show SMILES COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r| Show InChI InChI=1S/C21H20FN3O4/c1-13-7-3-4-8-14(13)16(12-20(26)27)23-21(28)17-11-19(29-2)25(24-17)18-10-6-5-9-15(18)22/h3-11,16H,12H2,1-2H3,(H,23,28)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP using Mca-RPPGFSAFK(Dnp)-OH as substrate incubated for 15 mins prior to substrate addition measured after 20 to 3...				J Med Chem 55: 7636-49 (2012) Article DOI: 10.1021/jm300663n BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
					More data for this Ligand-Target Pair
Cathepsin A (CTSA) (Homo sapiens (Human))	BDBM50396555 (CHEMBL2171396) Show SMILES COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r| Show InChI InChI=1S/C21H20FN3O4/c1-13-7-3-4-8-14(13)16(12-20(26)27)23-21(28)17-11-19(29-2)25(24-17)18-10-6-5-9-15(18)22/h3-11,16H,12H2,1-2H3,(H,23,28)(H,26,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...				J Med Chem 55: 7636-49 (2012) Article DOI: 10.1021/jm300663n BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
					More data for this Ligand-Target Pair