BindingDB logo
myBDB logout

null

SMILES: OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2[nH]ccc12)-c1c[nH]c2ncc(F)cc12

InChI Key: InChIKey=NCDWPFDFFKOCNQ-VOGSPBGVSA-N

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 = 50507242   
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
Polymerase basic protein 2


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)		BDBM50507242
PNG
(CHEMBL4529778)
Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2[nH]ccc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(11.4,-30.28,;12.73,-31.05,;14.07,-30.26,;12.74,-32.59,;14.09,-33.36,;14.1,-34.9,;12.77,-35.68,;11.44,-34.92,;12.2,-33.63,;13.32,-34.53,;11.43,-33.37,;10.1,-32.62,;8.78,-33.4,;9.26,-34.85,;8.24,-35.98,;6.74,-35.69,;6.25,-34.23,;4.85,-33.6,;5.01,-32.07,;6.51,-31.75,;7.28,-33.09,;8.72,-37.44,;7.82,-38.69,;8.73,-39.94,;10.2,-39.46,;11.54,-40.23,;12.87,-39.45,;12.87,-37.9,;14.21,-37.12,;11.54,-37.14,;10.19,-37.91,)|
Show InChI InChI=1S/C22H21FN6O2/c23-12-7-14-15(9-26-18(14)25-8-12)21-28-19-13(5-6-24-19)20(29-21)27-17-11-3-1-10(2-4-11)16(17)22(30)31/h5-11,16-17H,1-4H2,(H,25,26)(H,30,31)(H2,24,27,28,29)/t10?,11?,16-,17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.5n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ...

Eur J Med Chem 162: 249-265 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P
More data for this
Ligand-Target Pair