BDBM50111076 Azapeptide::CHEMBL6873

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

InChI Key: InChIKey=OKRFHYPBASVVOM-SBQCDYCGSA-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 = 50111076   

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)	BDBM50111076 (Azapeptide | CHEMBL6873) Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C36H52N8O14/c1-7-16-43(36(55)58-23-12-10-22(11-13-23)44(56)57)41-33(52)26-9-8-17-42(26)35(54)30(20(4)5)40-34(53)29(19(2)3)39-32(51)25(18-28(48)49)38-31(50)24(37-21(6)45)14-15-27(46)47/h10-13,19-20,24-26,29-30H,7-9,14-18H2,1-6H3,(H,37,45)(H,38,50)(H,39,51)(H,40,53)(H,41,52)(H,46,47)(H,48,49)/t24-,25-,26+,29-,30-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.00E+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