BDBM50407083 CHEMBL2112251

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

InChI Key: InChIKey=HZYGFGFQBHMYQZ-ULORJZGDSA-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 = 50407083   

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)	BDBM50407083 (CHEMBL2112251) 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)N[C@@H](C(C)C)C(=O)NC(CC(N)=O)C(=O)NC[C@@H](C)O Show InChI InChI=1S/C37H69N7O10/c1-13-21(7)30(43-35(52)31(22(8)14-2)44-36(53)54-37(10,11)12)34(51)40-24(15-19(3)4)26(46)17-28(48)42-29(20(5)6)33(50)41-25(16-27(38)47)32(49)39-18-23(9)45/h19-26,29-31,45-46H,13-18H2,1-12H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,43,52)(H,44,53)/t21-,22-,23+,24-,25?,26?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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))	BDBM50407083 (CHEMBL2112251) 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)N[C@@H](C(C)C)C(=O)NC(CC(N)=O)C(=O)NC[C@@H](C)O Show InChI InChI=1S/C37H69N7O10/c1-13-21(7)30(43-35(52)31(22(8)14-2)44-36(53)54-37(10,11)12)34(51)40-24(15-19(3)4)26(46)17-28(48)42-29(20(5)6)33(50)41-25(16-27(38)47)32(49)39-18-23(9)45/h19-26,29-31,45-46H,13-18H2,1-12H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,43,52)(H,44,53)/t21-,22-,23+,24-,25?,26?,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	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