BDBM50084615 (4S,5S,7S)-5-Amino-7-(4-tert-butyl-3-methanesulfonylmethoxy-benzyl)-4-hydroxy-2,8-dimethyl-nonanoic acid butylamide::5-Amino-7-(4-tert-butyl-3-methanesulfonylmethoxy-benzyl)-4-hydroxy-2,8-dimethyl-nonanoic acid butylamide::CHEMBL433218

SMILES: CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCS(C)(=O)=O)c1)C(C)(C)C)C(C)C

InChI Key: InChIKey=YMPLTFCIOBBXOA-FGQIZKSVSA-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 = 50084615   

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))	BDBM50084615 ((4S,5S,7S)-5-Amino-7-(4-tert-butyl-3-methanesulfon...) Show SMILES CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCS(C)(=O)=O)c1)C(C)(C)C)C(C)C Show InChI InChI=1S/C28H50N2O5S/c1-9-10-13-30-27(32)20(4)14-25(31)24(29)17-22(19(2)3)15-21-11-12-23(28(5,6)7)26(16-21)35-18-36(8,33)34/h11-12,16,19-20,22,24-25,31H,9-10,13-15,17-18,29H2,1-8H3,(H,30,32)/t20?,22-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory concentration against Renin				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50084615 ((4S,5S,7S)-5-Amino-7-(4-tert-butyl-3-methanesulfon...) Show SMILES CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCS(C)(=O)=O)c1)C(C)(C)C)C(C)C Show InChI InChI=1S/C28H50N2O5S/c1-9-10-13-30-27(32)20(4)14-25(31)24(29)17-22(19(2)3)15-21-11-12-23(28(5,6)7)26(16-21)35-18-36(8,33)34/h11-12,16,19-20,22,24-25,31H,9-10,13-15,17-18,29H2,1-8H3,(H,30,32)/t20?,22-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	7.2	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity for human renin at pH 7.2				Bioorg Med Chem Lett 7: 2735-2740 (1997) Article DOI: 10.1016/S0960-894X(97)10067-1 BindingDB Entry DOI: 10.7270/Q2PN95NC
					More data for this Ligand-Target Pair