BDBM50407090 CHEMBL2112837

SMILES: CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H](C)CC

InChI Key: InChIKey=IYGHIWIHYRBLGU-SMVREUAISA-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 = 50407090   

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)	BDBM50407090 (CHEMBL2112837) Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H](C)CC |r| Show InChI InChI=1S/C28H53N3O7/c1-12-18(5)23(25(35)29-19(14-17(3)4)21(32)15-22(33)37-13-2)31-24(34)20(16-27(6,7)8)30-26(36)38-28(9,10)11/h17-21,23,32H,12-16H2,1-11H3,(H,29,35)(H,30,36)(H,31,34)/t18-,19-,20-,21?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of conversion of hemoglobin by commercially purchased bovine spleen cathepsin D.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50407090 (CHEMBL2112837) Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H](C)CC |r| Show InChI InChI=1S/C28H53N3O7/c1-12-18(5)23(25(35)29-19(14-17(3)4)21(32)15-22(33)37-13-2)31-24(34)20(16-27(6,7)8)30-26(36)38-28(9,10)11/h17-21,23,32H,12-16H2,1-11H3,(H,29,35)(H,30,36)(H,31,34)/t18-,19-,20-,21?,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.				J Med Chem 36: 468-78 (1993) BindingDB Entry DOI: 10.7270/Q2PC331F
					More data for this Ligand-Target Pair