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BDBM50537581 CHEMBL4638107

SMILES: [H][C@@]12CCN(CCN(C)C)[C@@]1([H])c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1CC2)C(O)=O

InChI Key: InChIKey=LSRZIOVMDLBALO-SMSORMJASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537581   
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 5A


(Hepatitis C virus)
BDBM50537581
PNG
(CHEMBL4638107)
Show SMILES [H][C@@]12CCN(CCN(C)C)[C@@]1([H])c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1CC2)C(O)=O |r|
Show InChI InChI=1S/C32H41N3O3/c1-33(2)17-18-34-15-13-22-14-16-35-28-19-23(32(36)37)9-11-26(28)29(21-7-5-4-6-8-21)31(35)25-12-10-24(38-3)20-27(25)30(22)34/h9-12,19-22,30H,4-8,13-18H2,1-3H3,(H,36,37)/t22-,30+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A


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


Article DOI: 10.1007/s00044-005-0131-1
BindingDB Entry DOI: 10.7270/Q2RR224D
More data for this
Ligand-Target Pair