BDBM50407075 CHEMBL2112262

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@@H](O)CC(C)C

InChI Key: InChIKey=QPHBZNSUEDRPBX-TYOPREAOSA-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 = 50407075   

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
Renin (Homo sapiens (Human))	BDBM50407075 (CHEMBL2112262) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C36H58N4O6/c1-8-23(4)31(40-33(43)29(19-24-14-10-9-11-15-24)39-35(45)46-36(5,6)7)34(44)38-28(32(42)30(41)18-22(2)3)20-25-21-37-27-17-13-12-16-26(25)27/h12-13,16-17,21-24,28-32,37,41-42H,8-11,14-15,18-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,43)/t23-,28-,29-,30-,31-,32+/m0/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))	BDBM50407075 (CHEMBL2112262) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C36H58N4O6/c1-8-23(4)31(40-33(43)29(19-24-14-10-9-11-15-24)39-35(45)46-36(5,6)7)34(44)38-28(32(42)30(41)18-22(2)3)20-25-21-37-27-17-13-12-16-26(25)27/h12-13,16-17,21-24,28-32,37,41-42H,8-11,14-15,18-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,43)/t23-,28-,29-,30-,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	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)	BDBM50407075 (CHEMBL2112262) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C36H58N4O6/c1-8-23(4)31(40-33(43)29(19-24-14-10-9-11-15-24)39-35(45)46-36(5,6)7)34(44)38-28(32(42)30(41)18-22(2)3)20-25-21-37-27-17-13-12-16-26(25)27/h12-13,16-17,21-24,28-32,37,41-42H,8-11,14-15,18-20H2,1-7H3,(H,38,44)(H,39,45)(H,40,43)/t23-,28-,29-,30-,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	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