BindingDB logo
myBDB logout

null

SMILES: CC1(F)CN(C1)C(=O)Cn1c2ncc(cc2cc(C(=O)NCc2ccc(cc2)C#N)c1=O)-c1c[nH]cn1

InChI Key: InChIKey=VAVGUEIDCLJOCS-UHFFFAOYSA-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 = 222912   
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
DNA polymerase catalytic subunit


(Human cytomegalovirus (HCMV strain AD169) )		BDBM222912
PNG
(US9315499, 4038)
Show SMILES CC1(F)CN(C1)C(=O)Cn1c2ncc(cc2cc(C(=O)NCc2ccc(cc2)C#N)c1=O)-c1c[nH]cn1
Show InChI InChI=1S/C26H22FN7O3/c1-26(27)13-33(14-26)22(35)12-34-23-18(6-19(10-30-23)21-11-29-15-32-21)7-20(25(34)37)24(36)31-9-17-4-2-16(8-28)3-5-17/h2-7,10-11,15H,9,12-14H2,1H3,(H,29,32)(H,31,36)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The assay conditions are the following: 10 mM HEPES pH 7.5, 25 mM KCl, 7.5 mM NaCl, 5 mM MgCl2, 0.2 mg BSA/mL, 1 mM TCEP, 1.5% glycerol, 5% DMSO, 235...

US Patent US9315499 (2016)


BindingDB Entry DOI: 10.7270/Q2028QCZ
More data for this
Ligand-Target Pair