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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50537564'   
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/Non-structural protein 4A


(Hepatitis C virus)		BDBM50537564
PNG
(CHEMBL4644516)
Show SMILES CC(=O)N[C@@H](C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C42H54N6O14S/c1-23(49)43-35(42(61)62)40(58)45-28(18-20-32(52)53)37(55)48-34(33(25-13-7-3-8-14-25)26-15-9-4-10-16-26)39(57)44-27(17-19-31(50)51)36(54)46-29(21-24-11-5-2-6-12-24)38(56)47-30(22-63)41(59)60/h3-4,7-10,13-16,24,27-30,33-35,63H,2,5-6,11-12,17-22H2,1H3,(H,43,49)(H,44,57)(H,45,58)(H,46,54)(H,47,56)(H,48,55)(H,50,51)(H,52,53)(H,59,60)(H,61,62)/t27-,28-,29-,30-,34-,35+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 40n/an/an/an/an/an/an/an/a



Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human epidermoid carcinoma cells

Eur J Med Chem 164: 576-601 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.045
BindingDB Entry DOI: 10.7270/Q2RR224D
More data for this
Ligand-Target Pair