BDBM50259428 (1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid(2-chloro-benzyl)-cyclopropyl-amide::CHEMBL443469

SMILES: COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(Cc1ccccc1Cl)C1CC1

InChI Key: InChIKey=ZSRPGLIIGIWYRJ-ANHUGMMASA-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 = 50259428   

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))	BDBM50259428 ((1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-pro...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(Cc1ccccc1Cl)C1CC1 |r,t:22,TLB:17:20:28:24.23.25,29:24:28:21.20.27,THB:32:21:28:24.23.25| Show InChI InChI=1S/C37H42ClN3O5/c1-25(42)40-22-29-20-32(26-12-16-31(17-13-26)46-19-7-18-45-24-28-9-4-6-11-35(28)44-2)36(34(23-40)39-29)37(43)41(30-14-15-30)21-27-8-3-5-10-33(27)38/h3-6,8-13,16-17,29-30,34,39H,7,14-15,18-24H2,1-2H3/t29-,34-/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	0.770	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
Renin (Homo sapiens (Human))	BDBM50259428 ((1R,5S)-3-Acetyl-7-{4-[3-(2-methoxy-benzyloxy)-pro...) Show SMILES COc1ccccc1COCCCOc1ccc(cc1)C1=C([C@H]2CN(C[C@@H](C1)N2)C(C)=O)C(=O)N(Cc1ccccc1Cl)C1CC1 |r,t:22,TLB:17:20:28:24.23.25,29:24:28:21.20.27,THB:32:21:28:24.23.25| Show InChI InChI=1S/C37H42ClN3O5/c1-25(42)40-22-29-20-32(26-12-16-31(17-13-26)46-19-7-18-45-24-28-9-4-6-11-35(28)44-2)36(34(23-40)39-29)37(43)41(30-14-15-30)21-27-8-3-5-10-33(27)38/h3-6,8-13,16-17,29-30,34,39H,7,14-15,18-24H2,1-2H3/t29-,34-/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	25	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