BDBM50259459 (rac)-(1RS,5SR)-3-(3-Carbamoyl-propionyl)-7-{4-[3-(2,3,6-trifluoro-phenoxy)-propyl]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid(2-chloro-benzyl)-cyclopropyl-amide::CHEMBL448175

SMILES: NC(=O)CCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2F)cc1

InChI Key: InChIKey=PWWVNKKSEQHDFS-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 = 50259459   

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))	BDBM50259459 ((rac)-(1RS,5SR)-3-(3-Carbamoyl-propionyl)-7-{4-[3-...) Show SMILES NC(=O)CCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2F)cc1 |c:11,TLB:5:7:15:12.11.10,30:11:15:7.14.8,THB:16:12:15:7.14.8| Show InChI InChI=1S/C37H38ClF3N4O4/c38-28-6-2-1-5-24(28)19-45(26-11-12-26)37(48)34-27(18-25-20-44(21-31(34)43-25)33(47)16-15-32(42)46)23-9-7-22(8-10-23)4-3-17-49-36-30(40)14-13-29(39)35(36)41/h1-2,5-10,13-14,25-26,31,43H,3-4,11-12,15-21H2,(H2,42,46)	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	56	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				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50259459 ((rac)-(1RS,5SR)-3-(3-Carbamoyl-propionyl)-7-{4-[3-...) Show SMILES NC(=O)CCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2F)cc1 |c:11,TLB:5:7:15:12.11.10,30:11:15:7.14.8,THB:16:12:15:7.14.8| Show InChI InChI=1S/C37H38ClF3N4O4/c38-28-6-2-1-5-24(28)19-45(26-11-12-26)37(48)34-27(18-25-20-44(21-31(34)43-25)33(47)16-15-32(42)46)23-9-7-22(8-10-23)4-3-17-49-36-30(40)14-13-29(39)35(36)41/h1-2,5-10,13-14,25-26,31,43H,3-4,11-12,15-21H2,(H2,42,46)	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	0.550	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				3D Structure (docked)