BDBM50028316 4-Acetyl-3-hydroxy-6-methyl-heptanoic acid [1-(3-methyl-butylcarbamoyl)-ethyl]-amide::CHEMBL113917

SMILES: CC(C)CCNC(=O)[C@@H](C)NC(=O)C[C@H](O)C(CC(C)C)C(C)=O

InChI Key: InChIKey=USRSDLOUCZONOA-BXCKNWRKSA-N

Data: 1 KI  1 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 = 50028316   

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
Pepsin A (Porcine)	BDBM50028316 (4-Acetyl-3-hydroxy-6-methyl-heptanoic acid [1-(3-m...) Show SMILES CC(C)CCNC(=O)[C@@H](C)NC(=O)C[C@H](O)C(CC(C)C)C(C)=O Show InChI InChI=1S/C18H34N2O4/c1-11(2)7-8-19-18(24)13(5)20-17(23)10-16(22)15(14(6)21)9-12(3)4/h11-13,15-16,22H,7-10H2,1-6H3,(H,19,24)(H,20,23)/t13-,15?,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe				J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50028316 (4-Acetyl-3-hydroxy-6-methyl-heptanoic acid [1-(3-m...) Show SMILES CC(C)CCNC(=O)[C@@H](C)NC(=O)C[C@H](O)C(CC(C)C)C(C)=O Show InChI InChI=1S/C18H34N2O4/c1-11(2)7-8-19-18(24)13(5)20-17(23)10-16(22)15(14(6)21)9-12(3)4/h11-13,15-16,22H,7-10H2,1-6H3,(H,19,24)(H,20,23)/t13-,15?,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of renin was measured using hog kidney reninand the radiolabeled synthetic substrate, H-Ile-His-Pro-Phe-His-Leu-[14C]Leu-Val-Tyr-Ser-OH				J Med Chem 23: 27-33 (1980) BindingDB Entry DOI: 10.7270/Q24T6HCJ
					More data for this Ligand-Target Pair