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BDBM50037502 CHEMBL1170421

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

InChI Key: InChIKey=YWSOBAGUHBRNMD-HIRLDPMCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037502   
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)		BDBM50037502
PNG
(CHEMBL1170421)
Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1cc(nc2cc(OC)ccc12)-c1ccccc1)C(=O)NS(=O)(=O)CCCC=C |r|
Show InChI InChI=1S/C42H57N5O9S/c1-10-12-16-22-57(52,53)46-37(48)31(17-11-2)44-38(49)34-24-29(26-47(34)39(50)36(41(3,4)5)45-40(51)56-42(6,7)8)55-35-25-32(27-18-14-13-15-19-27)43-33-23-28(54-9)20-21-30(33)35/h10,13-15,18-21,23,25,29,31,34,36H,1,11-12,16-17,22,24,26H2,2-9H3,(H,44,49)(H,45,51)(H,46,48)/t29-,31+,34+,36-/m1/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 300n/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