BDBM50006852 4-(2-Amino-thiazol-4-yl)-N-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-butyramide::CHEMBL87389

SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1

InChI Key: InChIKey=BGQTXDXVVKCELD-STVCLKQXSA-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 = 50006852   

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
Cathepsin D (Bos taurus)	BDBM50006852 (4-(2-Amino-thiazol-4-yl)-N-(1-cyclohexylmethyl-2,3...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H54N6O7S2/c1-23(2)19-30(41)31(42)28(20-24-9-5-3-6-10-24)38-32(43)27(14-13-26-22-48-34(35)36-26)37-33(44)29(21-25-11-7-4-8-12-25)39-49(45,46)40-15-17-47-18-16-40/h4,7-8,11-12,22-24,27-31,39,41-42H,3,5-6,9-10,13-21H2,1-2H3,(H2,35,36)(H,37,44)(H,38,43)/t27-,28-,29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	834	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co. Curated by ChEMBL					Assay Description Inhibition of Bovine Cathepsin D				J Med Chem 35: 2562-72 (1992) BindingDB Entry DOI: 10.7270/Q2ZK5H8V
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50006852 (4-(2-Amino-thiazol-4-yl)-N-(1-cyclohexylmethyl-2,3...) Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C34H54N6O7S2/c1-23(2)19-30(41)31(42)28(20-24-9-5-3-6-10-24)38-32(43)27(14-13-26-22-48-34(35)36-26)37-33(44)29(21-25-11-7-4-8-12-25)39-49(45,46)40-15-17-47-18-16-40/h4,7-8,11-12,22-24,27-31,39,41-42H,3,5-6,9-10,13-21H2,1-2H3,(H2,35,36)(H,37,44)(H,38,43)/t27-,28-,29-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co. Curated by ChEMBL					Assay Description In vitro inhibition of monkey renin.				J Med Chem 35: 2562-72 (1992) BindingDB Entry DOI: 10.7270/Q2ZK5H8V
					More data for this Ligand-Target Pair