BindingDB logo
myBDB logout

BDBM50402142 CHEMBL2207987

SMILES: CC1SC2(CCC(C)CC2)N(NC(=O)c2c(C)nc3sccn23)C1=O

InChI Key: InChIKey=AVRCEBPKTNTHMR-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402142   
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
Influenza A virus Hemagglutinin


(Influenza A virus (strain A/X-31 H3N2))		BDBM50402142
PNG
(CHEMBL2207987)
Show SMILES CC1SC2(CCC(C)CC2)N(NC(=O)c2c(C)nc3sccn23)C1=O |(9.09,-15.26,;10.63,-15.1,;11.66,-16.25,;13.06,-15.62,;14.4,-14.85,;15.73,-15.62,;15.73,-17.16,;17.06,-17.93,;14.4,-17.93,;13.06,-17.16,;12.9,-14.09,;14.05,-13.06,;13.73,-11.55,;12.29,-11,;14.92,-10.58,;16.41,-10.98,;16.96,-12.42,;17.25,-9.69,;16.28,-8.49,;16.2,-6.95,;14.71,-6.56,;13.87,-7.85,;14.84,-9.04,;11.4,-13.77,;10.77,-12.36,)|
Show InChI InChI=1S/C17H22N4O2S2/c1-10-4-6-17(7-5-10)21(15(23)12(3)25-17)19-14(22)13-11(2)18-16-20(13)8-9-24-16/h8-10,12H,4-7H2,1-3H3,(H,19,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/a5.0n/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of hemagglutinin in Influenza A virus (A/X-31(H3N2)) infected in chicken red blood cells assessed as inhibition of hemolysis preincubated ...

Bioorg Med Chem 20: 7155-9 (2012)


Article DOI: 10.1016/j.bmc.2012.09.064
BindingDB Entry DOI: 10.7270/Q28W3FFD
More data for this
Ligand-Target Pair