BDBM50111039 Azapeptide::CHEMBL268985

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(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCc1ccccc1

InChI Key: InChIKey=ZTXWMSHQWBOWEF-WSLMXDOOSA-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 = 50111039   

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
Genome polyprotein (Hepatitis C virus)	BDBM50111039 (Azapeptide | CHEMBL268985) 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(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C45H67N9O17/c1-8-18-54(45(70)71-22-27-13-10-9-11-14-27)52-41(66)31-15-12-19-53(31)44(69)36(24(4)5)50-42(67)35(23(2)3)49-40(65)30(21-34(61)62)48-38(63)28(16-17-32(57)58)47-43(68)37(25(6)55)51-39(64)29(20-33(59)60)46-26(7)56/h9-11,13-14,23-25,28-31,35-37,55H,8,12,15-22H2,1-7H3,(H,46,56)(H,47,68)(H,48,63)(H,49,65)(H,50,67)(H,51,64)(H,52,66)(H,57,58)(H,59,60)(H,61,62)/t25-,28+,29+,30+,31-,35+,36+,37+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+4	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