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BDBM50537568 CHEMBL4641913

SMILES: CC(C)C[C@H](NC[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@H]1C(O)=O)C(N)=O

InChI Key: InChIKey=TVXJRMOMLFXUFJ-MNVIUDHYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537568   
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
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50537568
PNG
(CHEMBL4641913)
Show SMILES CC(C)C[C@H](NC[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@H]1C(O)=O)C(N)=O |r|
Show InChI InChI=1S/C27H46N4O7/c1-16(2)12-21(24(28)34)29-15-18(14-23(32)33)30-26(36)22(13-17-8-4-3-5-9-17)31-25(35)19-10-6-7-11-20(19)27(37)38/h16-22,29H,3-15H2,1-2H3,(H2,28,34)(H,30,36)(H,31,35)(H,32,33)(H,37,38)/t18-,19+,20+,21-,22-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Y181C reverse transcriptase.


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