BDBM50368798 CHEMBL1791120

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)NCCC(C)C

InChI Key: InChIKey=RLSZPUIXDYGDNR-PEADLTECSA-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 = 50368798   

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))	BDBM50368798 (CHEMBL1791120) 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)NCCC(C)C Show InChI InChI=1S/C30H58N4O6/c1-12-20(7)25(33-28(38)26(21(8)13-2)34-29(39)40-30(9,10)11)27(37)32-22(16-19(5)6)23(35)17-24(36)31-15-14-18(3)4/h18-23,25-26,35H,12-17H2,1-11H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t20-,21-,22+,23?,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	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)	BDBM50368798 (CHEMBL1791120) 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)NCCC(C)C Show InChI InChI=1S/C30H58N4O6/c1-12-20(7)25(33-28(38)26(21(8)13-2)34-29(39)40-30(9,10)11)27(37)32-22(16-19(5)6)23(35)17-24(36)31-15-14-18(3)4/h18-23,25-26,35H,12-17H2,1-11H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t20-,21-,22+,23?,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	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