BDBM50046813 4-[2-(2-tert-Butoxycarbonylamino-3,3-dimethyl-butyrylamino)-3-methyl-pentanoylamino]-3-hydroxy-6-methyl-heptanoic acid::CHEMBL343681

SMILES: CCC(C)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(C)C)C(O)CC(O)=O

InChI Key: InChIKey=YFYJTMYWPJCXPG-UHFFFAOYSA-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 = 50046813   

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))	BDBM50046813 (4-[2-(2-tert-Butoxycarbonylamino-3,3-dimethyl-buty...) Show SMILES CCC(C)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(C)C)C(O)CC(O)=O Show InChI InChI=1S/C25H47N3O7/c1-11-15(4)19(21(32)26-16(12-14(2)3)17(29)13-18(30)31)27-22(33)20(24(5,6)7)28-23(34)35-25(8,9)10/h14-17,19-20,29H,11-13H2,1-10H3,(H,26,32)(H,27,33)(H,28,34)(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	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)	BDBM50046813 (4-[2-(2-tert-Butoxycarbonylamino-3,3-dimethyl-buty...) Show SMILES CCC(C)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(C)C)C(O)CC(O)=O Show InChI InChI=1S/C25H47N3O7/c1-11-15(4)19(21(32)26-16(12-14(2)3)17(29)13-18(30)31)27-22(33)20(24(5,6)7)28-23(34)35-25(8,9)10/h14-17,19-20,29H,11-13H2,1-10H3,(H,26,32)(H,27,33)(H,28,34)(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	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))	BDBM50046813 (4-[2-(2-tert-Butoxycarbonylamino-3,3-dimethyl-buty...) Show SMILES CCC(C)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(C)C)C(O)CC(O)=O Show InChI InChI=1S/C25H47N3O7/c1-11-15(4)19(21(32)26-16(12-14(2)3)17(29)13-18(30)31)27-22(33)20(24(5,6)7)28-23(34)35-25(8,9)10/h14-17,19-20,29H,11-13H2,1-10H3,(H,26,32)(H,27,33)(H,28,34)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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