BDBM50368802 CHEMBL1791097

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)CCC(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C

InChI Key: InChIKey=DXQWXYPROWODLY-CVAXMTBMSA-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 = 50368802   

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)	BDBM50368802 (CHEMBL1791097) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)CCC(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C37H55N3O7/c1-5-24(4)34(40-36(46)30(21-25-11-7-6-8-12-25)38-32(42)17-18-33(43)44)37(47)39-29(35(45)31(41)19-23(2)3)22-26-15-16-27-13-9-10-14-28(27)20-26/h9-10,13-16,20,23-25,29-31,34-35,41,45H,5-8,11-12,17-19,21-22H2,1-4H3,(H,38,42)(H,39,47)(H,40,46)(H,43,44)/t24-,29+,30+,31+,34+,35-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	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))	BDBM50368802 (CHEMBL1791097) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)CCC(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C37H55N3O7/c1-5-24(4)34(40-36(46)30(21-25-11-7-6-8-12-25)38-32(42)17-18-33(43)44)37(47)39-29(35(45)31(41)19-23(2)3)22-26-15-16-27-13-9-10-14-28(27)20-26/h9-10,13-16,20,23-25,29-31,34-35,41,45H,5-8,11-12,17-19,21-22H2,1-4H3,(H,38,42)(H,39,47)(H,40,46)(H,43,44)/t24-,29+,30+,31+,34+,35-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	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