BDBM50368788 CHEMBL1791112

SMILES: CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@H](C)CC

InChI Key: InChIKey=FTHJSTXANKAZRW-BMRDAKNSSA-N

Data: 3 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 3 hits for monomerid = 50368788   

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)	BDBM50368788 (CHEMBL1791112) Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@H](C)CC Show InChI InChI=1S/C30H55N3O7/c1-9-20(5)26(28(37)31-22(16-19(3)4)24(34)18-25(35)39-10-2)33-27(36)23(17-21-14-12-11-13-15-21)32-29(38)40-30(6,7)8/h19-24,26,34H,9-18H2,1-8H3,(H,31,37)(H,32,38)(H,33,36)/t20-,22+,23+,24?,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	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
Renin (Homo sapiens (Human))	BDBM50368788 (CHEMBL1791112) Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@H](C)CC Show InChI InChI=1S/C30H55N3O7/c1-9-20(5)26(28(37)31-22(16-19(3)4)24(34)18-25(35)39-10-2)33-27(36)23(17-21-14-12-11-13-15-21)32-29(38)40-30(6,7)8/h19-24,26,34H,9-18H2,1-8H3,(H,31,37)(H,32,38)(H,33,36)/t20-,22+,23+,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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	6.0	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of partially purified human renin at pH 6.0.				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))	BDBM50368788 (CHEMBL1791112) Show SMILES CCOC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)[C@H](C)CC Show InChI InChI=1S/C30H55N3O7/c1-9-20(5)26(28(37)31-22(16-19(3)4)24(34)18-25(35)39-10-2)33-27(36)23(17-21-14-12-11-13-15-21)32-29(38)40-30(6,7)8/h19-24,26,34H,9-18H2,1-8H3,(H,31,37)(H,32,38)(H,33,36)/t20-,22+,23+,24?,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	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