BDBM50054635 CHEMBL3318936

SMILES: COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)N[C@@H](CO)CC(C)C)c2ccccc12

InChI Key: InChIKey=WYBYIBFXOQXYOK-WMTXJRDZSA-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 = 50054635   

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))	BDBM50054635 (CHEMBL3318936) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)N[C@@H](CO)CC(C)C)c2ccccc12 |r| Show InChI InChI=1S/C29H44N4O4/c1-20(2)13-24(19-34)31-28(35)21-14-22(16-30-15-21)29(36)33(25-9-10-25)18-23-17-32(11-6-12-37-3)27-8-5-4-7-26(23)27/h4-5,7-8,17,20-22,24-25,30,34H,6,9-16,18-19H2,1-3H3,(H,31,35)/t21-,22+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	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))	BDBM50054635 (CHEMBL3318936) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNC[C@H](C2)C(=O)N[C@@H](CO)CC(C)C)c2ccccc12 |r| Show InChI InChI=1S/C29H44N4O4/c1-20(2)13-24(19-34)31-28(35)21-14-22(16-30-15-21)29(36)33(25-9-10-25)18-23-17-32(11-6-12-37-3)27-8-5-4-7-26(23)27/h4-5,7-8,17,20-22,24-25,30,34H,6,9-16,18-19H2,1-3H3,(H,31,35)/t21-,22+,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	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 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