BDBM50368801 CHEMBL1791114

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(O)=O)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=AZMVGFZDGMMMJI-YKMUQIPPSA-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 = 50368801   

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))	BDBM50368801 (CHEMBL1791114) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(O)=O)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C38H58N6O11/c1-10-20(5)29(42-33(48)30(21(6)11-2)43-34(49)31(36(52)53)44-37(54)55-38(7,8)9)32(47)40-25(16-22-18-39-24-15-13-12-14-23(22)24)26(45)17-27(46)41-28(19(3)4)35(50)51/h12-15,18-21,25-26,28-31,39,45H,10-11,16-17H2,1-9H3,(H,40,47)(H,41,46)(H,42,48)(H,43,49)(H,44,54)(H,50,51)(H,52,53)/t20-,21-,25+,26?,28+,29+,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+3	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)	BDBM50368801 (CHEMBL1791114) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(O)=O)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C38H58N6O11/c1-10-20(5)29(42-33(48)30(21(6)11-2)43-34(49)31(36(52)53)44-37(54)55-38(7,8)9)32(47)40-25(16-22-18-39-24-15-13-12-14-23(22)24)26(45)17-27(46)41-28(19(3)4)35(50)51/h12-15,18-21,25-26,28-31,39,45H,10-11,16-17H2,1-9H3,(H,40,47)(H,41,46)(H,42,48)(H,43,49)(H,44,54)(H,50,51)(H,52,53)/t20-,21-,25+,26?,28+,29+,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	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