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BDBM50037500 CHEMBL259478

SMILES: [H][C@]1(C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1cc(nc2cc(OC)ccc12)-c1ccccc1)C(=O)Nc1ccccc1C(=O)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=JMGFJSHONQYBNU-CIBRAPPLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037500   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Nonstructural protein NS3-4A


(Hepatitis C virus)		BDBM50037500
PNG
(CHEMBL259478)
Show SMILES [H][C@]1(C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1cc(nc2cc(OC)ccc12)-c1ccccc1)C(=O)Nc1ccccc1C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C45H49N5O9S/c1-44(2,3)39(48-43(54)59-45(4,5)6)42(53)50-27-30(58-38-26-35(28-16-10-8-11-17-28)46-36-24-29(57-7)22-23-32(36)38)25-37(50)41(52)47-34-21-15-14-20-33(34)40(51)49-60(55,56)31-18-12-9-13-19-31/h8-24,26,30,37,39H,25,27H2,1-7H3,(H,47,52)(H,48,54)(H,49,51)/t30-,37+,39-/m1/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 830n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay

Bioorg Med Chem 22: 6595-615 (2015)


Article DOI: 10.1016/j.bmc.2014.10.010
BindingDB Entry DOI: 10.7270/Q2GX4D50
More data for this
Ligand-Target Pair