BDBM50054639 CHEMBL3318929

SMILES: Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cc1)C(C)C

InChI Key: InChIKey=BZTKLUREFVVCRK-SLQRLHQASA-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 = 50054639   

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))	BDBM50054639 (CHEMBL3318929) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C27H43N3O3.ClH/c1-6-33-17-23(13-18(2)3)29-26(31)21-14-22(16-28-15-21)27(32)30(25-11-12-25)24-9-7-20(8-10-24)19(4)5;/h7-10,18-19,21-23,25,28H,6,11-17H2,1-5H3,(H,29,31);1H/t21-,22+,23+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin in presence of human plasma using Ac- IHPFHL-VIHNK-(DY-505-X5)-COOH substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50054639 (CHEMBL3318929) Show SMILES Cl.CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N(C1CC1)c1ccc(cc1)C(C)C |r| Show InChI InChI=1S/C27H43N3O3.ClH/c1-6-33-17-23(13-18(2)3)29-26(31)21-14-22(16-28-15-21)27(32)30(25-11-12-25)24-9-7-20(8-10-24)19(4)5;/h7-10,18-19,21-23,25,28H,6,11-17H2,1-5H3,(H,29,31);1H/t21-,22+,23+;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using fluorescence-quenched RE(EDANS)IHPFHLVIHTK(Dabcyl)R substrate by fluorimetric assay				ACS Med Chem Lett 5: 787-92 (2014) Article DOI: 10.1021/ml500137b BindingDB Entry DOI: 10.7270/Q2WD4279
					More data for this Ligand-Target Pair