BDBM50497562 CHEMBL3344095

SMILES: CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(OC)c1OCc1cn(CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1)C(=O)OCC

InChI Key: InChIKey=WSYSAYWSVBSAEW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50497562   

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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50497562 (CHEMBL3344095) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(OC)c1OCc1cn(CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1)C(=O)OCC |c:5,10| Show InChI InChI=1S/C35H34F17N5O7/c1-6-62-26(59)22-16(3)54-17(4)23(27(60)63-7-2)24(22)19-9-8-10-20(61-5)25(19)64-15-18-13-57(56-55-18)14-21(58)53-12-11-28(36,37)29(38,39)30(40,41)31(42,43)32(44,45)33(46,47)34(48,49)35(50,51)52/h8-10,13,24,54H,6-7,11-12,14-15H2,1-5H3,(H,53,58)	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	653	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of rabbit lung ACE using hippuryl-histidyl-leucine as substrate assessed as release of hippuric acid incubated for 10 mins prior to substr...				Bioorg Med Chem 22: 5824-30 (2014) Article DOI: 10.1016/j.bmc.2014.09.027 BindingDB Entry DOI: 10.7270/Q2G73HQ4
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