BDBM50368786 CHEMBL1791119

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

InChI Key: InChIKey=GVUVNPKKNZINKS-CEZNVEGPSA-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 = 50368786   

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
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50368786 (CHEMBL1791119) Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NC(C)C Show InChI InChI=1S/C28H54N4O6/c1-12-18(7)23(31-26(36)24(19(8)13-2)32-27(37)38-28(9,10)11)25(35)30-20(14-16(3)4)21(33)15-22(34)29-17(5)6/h16-21,23-24,33H,12-15H2,1-11H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t18-,19-,20+,21?,23+,24+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	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
Cathepsin D (Bos taurus)	BDBM50368786 (CHEMBL1791119) Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NC(C)C Show InChI InChI=1S/C28H54N4O6/c1-12-18(7)23(31-26(36)24(19(8)13-2)32-27(37)38-28(9,10)11)25(35)30-20(14-16(3)4)21(33)15-22(34)29-17(5)6/h16-21,23-24,33H,12-15H2,1-11H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/t18-,19-,20+,21?,23+,24+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	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