BDBM50111053 Azapeptide::CHEMBL6360

SMILES: CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=VNEWHRUAJXGKHM-AYEHBTSNSA-N

Data: 1 KI

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 1 hit for monomerid = 50111053   

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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50111053 (Azapeptide | CHEMBL6360) Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C31H45N7O11/c1-7-14-37(31(46)49-21-12-10-20(11-13-21)38(47)48)35-28(43)23-9-8-15-36(23)30(45)26(18(4)5)34-29(44)25(17(2)3)33-27(42)22(16-24(40)41)32-19(6)39/h10-13,17-18,22-23,25-26H,7-9,14-16H2,1-6H3,(H,32,39)(H,33,42)(H,34,44)(H,35,43)(H,40,41)/t22-,23+,25-,26-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity against Hepatitis C virus NS3 protease				Bioorg Med Chem Lett 12: 1005-8 (2002) BindingDB Entry DOI: 10.7270/Q2NS0T62
					More data for this Ligand-Target Pair