BDBM50407077 CHEMBL2112264

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

InChI Key: InChIKey=MIRAMMMXFXHKPC-ACXQXYJUSA-N

Data: 4 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 4 hits for monomerid = 50407077   

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)	BDBM50407077 (CHEMBL2112264) Show SMILES CCOC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H](C)CC Show InChI InChI=1S/C27H51N3O7/c1-11-17(6)22(24(33)28-19(14-16(4)5)20(31)15-21(32)36-13-3)29-25(34)23(18(7)12-2)30-26(35)37-27(8,9)10/h16-20,22-23,31H,11-15H2,1-10H3,(H,28,33)(H,29,34)(H,30,35)/t17-,18-,19-,20+,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+3	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
Cathepsin D (Bos taurus)	BDBM50407077 (CHEMBL2112264) Show SMILES CCOC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H](C)CC Show InChI InChI=1S/C27H51N3O7/c1-11-17(6)22(24(33)28-19(14-16(4)5)20(31)15-21(32)36-13-3)29-25(34)23(18(7)12-2)30-26(35)37-27(8,9)10/h16-20,22-23,31H,11-15H2,1-10H3,(H,28,33)(H,29,34)(H,30,35)/t17-,18-,19-,20+,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	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))	BDBM50407077 (CHEMBL2112264) Show SMILES CCOC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H](C)CC Show InChI InChI=1S/C27H51N3O7/c1-11-17(6)22(24(33)28-19(14-16(4)5)20(31)15-21(32)36-13-3)29-25(34)23(18(7)12-2)30-26(35)37-27(8,9)10/h16-20,22-23,31H,11-15H2,1-10H3,(H,28,33)(H,29,34)(H,30,35)/t17-,18-,19-,20+,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	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
Endothelin-converting enzyme 1 (ECE) (Rattus norvegicus (Rat))	BDBM50407077 (CHEMBL2112264) Show SMILES CCOC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H](C)CC Show InChI InChI=1S/C27H51N3O7/c1-11-17(6)22(24(33)28-19(14-16(4)5)20(31)15-21(32)36-13-3)29-25(34)23(18(7)12-2)30-26(35)37-27(8,9)10/h16-20,22-23,31H,11-15H2,1-10H3,(H,28,33)(H,29,34)(H,30,35)/t17-,18-,19-,20+,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	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