BDBM50006857 4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-propionylamino}-5-cyclohexyl-3-hydroxy-pentanoic acid {2-[bis-(2-hydroxy-ethyl)-amino]-ethyl}-amide::CHEMBL316218

SMILES: Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CC(=O)NCCN(CCO)CCO)cs1

InChI Key: InChIKey=XSBBDWMFZSROFA-YDPTYEFTSA-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 = 50006857   

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)	BDBM50006857 (4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...) Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CC(=O)NCCN(CCO)CCO)cs1 Show InChI InChI=1S/C36H58N8O9S2/c37-36-39-28(25-54-36)23-30(41-35(50)31(22-27-9-5-2-6-10-27)42-55(51,52)44-15-19-53-20-16-44)34(49)40-29(21-26-7-3-1-4-8-26)32(47)24-33(48)38-11-12-43(13-17-45)14-18-46/h2,5-6,9-10,25-26,29-32,42,45-47H,1,3-4,7-8,11-24H2,(H2,37,39)(H,38,48)(H,40,49)(H,41,50)/t29-,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	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))	BDBM50006857 (4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sul...) Show SMILES Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CC(=O)NCCN(CCO)CCO)cs1 Show InChI InChI=1S/C36H58N8O9S2/c37-36-39-28(25-54-36)23-30(41-35(50)31(22-27-9-5-2-6-10-27)42-55(51,52)44-15-19-53-20-16-44)34(49)40-29(21-26-7-3-1-4-8-26)32(47)24-33(48)38-11-12-43(13-17-45)14-18-46/h2,5-6,9-10,25-26,29-32,42,45-47H,1,3-4,7-8,11-24H2,(H2,37,39)(H,38,48)(H,40,49)(H,41,50)/t29-,30-,31-,32-/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	3.60	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