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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50120314'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Genome polyprotein


(Hepatitis C virus)		BDBM50120314
PNG
(CHEMBL321894 | Peptide Boronic Acid analogue)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCc1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Show InChI InChI=1S/C44H67BN6O11/c1-24(2)36(49-39(57)29(18-19-34(52)53)47-38(56)28(46)23-35(54)55)41(59)50-37(25(3)4)42(60)51-20-12-16-30(51)40(58)48-33(17-11-15-26-13-9-8-10-14-26)45-61-32-22-27-21-31(43(27,5)6)44(32,7)62-45/h8-10,13-14,24-25,27-33,36-37H,11-12,15-23,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t27-,28-,29-,30+,31-,32+,33-,36-,37-,44-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Hepatitis C virus NS3 protease

Bioorg Med Chem Lett 12: 3199-202 (2002)


BindingDB Entry DOI: 10.7270/Q2R49Q38
More data for this
Ligand-Target Pair