BDBM50311804 (1S,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-propyl]-phenyl}-3,3-dioxo-3lambda*6*-thia-9-aza-bicyclo[33.1]non-6-ene-6-carboxylic acid cyclopropyl-(2,3-dichloro-benzyl)-amide::CHEMBL1076445

SMILES: Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CS(=O)(=O)C[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl

InChI Key: InChIKey=ULNCEZPLMLOWSM-RBISFHTESA-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 = 50311804   

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
Renin (Homo sapiens (Human))	BDBM50311804 ((1S,5S)-7-{4-[3-(2-Chloro-3,6-difluoro-phenoxy)-pr...) Show SMILES Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CS(=O)(=O)C[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18| Show InChI InChI=1S/C33H31Cl3F2N2O4S/c34-25-5-1-4-21(30(25)35)16-40(23-10-11-23)33(41)29-24(15-22-17-45(42,43)18-28(29)39-22)20-8-6-19(7-9-20)3-2-14-44-32-27(38)13-12-26(37)31(32)36/h1,4-9,12-13,22-23,28,39H,2-3,10-11,14-18H2/t22-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of human rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				Bioorg Med Chem Lett 19: 6762-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.104 BindingDB Entry DOI: 10.7270/Q23F4PRP
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