BDBM50111049 Azapeptide::CHEMBL386851

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)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=YEFHNGFTBDKXBC-FZIRJUHISA-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 = 50111049   

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)	BDBM50111049 (Azapeptide | CHEMBL386851) 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)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C50H69N9O16/c1-8-22-59(49(74)32-18-16-31(17-19-32)30-13-10-9-11-14-30)57-46(71)36-15-12-23-58(36)50(75)41(27(4)5)55-47(72)40(26(2)3)54-45(70)35(25-39(66)67)53-43(68)33(20-21-37(62)63)52-48(73)42(28(6)60)56-44(69)34(24-38(64)65)51-29(7)61/h9-11,13-14,16-19,26-28,33-36,40-42,60H,8,12,15,20-25H2,1-7H3,(H,51,61)(H,52,73)(H,53,68)(H,54,70)(H,55,72)(H,56,69)(H,57,71)(H,62,63)(H,64,65)(H,66,67)/t28-,33+,34+,35+,36-,40+,41+,42+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	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