BDBM50311809 4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)phenyl)-N-cyclopropyl-N-(3-methoxy-2-methylbenzyl)-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridine-3-carboxamide::CHEMBL1076462

SMILES: COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C

InChI Key: InChIKey=VFOWARSAQYEEOG-FYBSXPHGSA-N

Data: 2 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 2 hits for monomerid = 50311809   

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))	BDBM50311809 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15,TLB:22:15:21:19.18,THB:12:14:21:19.18| Show InChI InChI=1S/C35H37ClF2N2O3/c1-21-24(6-3-7-31(21)42-2)20-40(26-13-14-26)35(41)32-27(19-25-12-17-30(32)39-25)23-10-8-22(9-11-23)5-4-18-43-34-29(38)16-15-28(37)33(34)36/h3,6-11,15-16,25-26,30,39H,4-5,12-14,17-20H2,1-2H3/t25-,30-/m1/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	43	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 human plasma 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
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50311809 (4-(4-(3-(2-chloro-3,6-difluorophenoxy)propyl)pheny...) Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3CC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15,TLB:22:15:21:19.18,THB:12:14:21:19.18| Show InChI InChI=1S/C35H37ClF2N2O3/c1-21-24(6-3-7-31(21)42-2)20-40(26-13-14-26)35(41)32-27(19-25-12-17-30(32)39-25)23-10-8-22(9-11-23)5-4-18-43-34-29(38)16-15-28(37)33(34)36/h3,6-11,15-16,25-26,30,39H,4-5,12-14,17-20H2,1-2H3/t25-,30-/m1/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	0.740	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
					More data for this Ligand-Target Pair