BDBM50259463 (rac)-7-(4-{2-[Methyl-(2,3,6-trichloro-benzyl)-amino]-ethyl}-phenyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxylic acid cyclopropyl-(3-methoxy-2-methyl-benzyl)-amide::CHEMBL446741

SMILES: COc1cccc(CN(C2CC2)C(=O)C2=C(CC3CNCC2N3)c2ccc(CCN(C)Cc3c(Cl)ccc(Cl)c3Cl)cc2)c1C

InChI Key: InChIKey=PHOFYLNFVYKSAW-UHFFFAOYSA-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 = 50259463   

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))	BDBM50259463 ((rac)-7-(4-{2-[Methyl-(2,3,6-trichloro-benzyl)-ami...) Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(CC3CNCC2N3)c2ccc(CCN(C)Cc3c(Cl)ccc(Cl)c3Cl)cc2)c1C |t:15,TLB:23:15:22:19.20.18,THB:12:14:22:19.20.18| Show InChI InChI=1S/C36H41Cl3N4O2/c1-22-25(5-4-6-33(22)45-3)20-43(27-11-12-27)36(44)34-28(17-26-18-40-19-32(34)41-26)24-9-7-23(8-10-24)15-16-42(2)21-29-30(37)13-14-31(38)35(29)39/h4-10,13-14,26-27,32,40-41H,11-12,15-21H2,1-3H3	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50259463 ((rac)-7-(4-{2-[Methyl-(2,3,6-trichloro-benzyl)-ami...) Show SMILES COc1cccc(CN(C2CC2)C(=O)C2=C(CC3CNCC2N3)c2ccc(CCN(C)Cc3c(Cl)ccc(Cl)c3Cl)cc2)c1C |t:15,TLB:23:15:22:19.20.18,THB:12:14:22:19.20.18| Show InChI InChI=1S/C36H41Cl3N4O2/c1-22-25(5-4-6-33(22)45-3)20-43(27-11-12-27)36(44)34-28(17-26-18-40-19-32(34)41-26)24-9-7-23(8-10-24)15-16-42(2)21-29-30(37)13-14-31(38)35(29)39/h4-10,13-14,26-27,32,40-41H,11-12,15-21H2,1-3H3	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair