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SMILES: CCCn1cc(cn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12

InChI Key: InChIKey=SWYUCJNNROTAJE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 347054   
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
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))		BDBM347054
PNG
(US10202390, Example 9)
Show SMILES CCCn1cc(cn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12
Show InChI InChI=1S/C22H20ClF2N9/c1-2-3-32-11-14(6-28-32)17-9-26-19(20-10-27-22-4-15(23)7-30-34(20)22)5-18(17)31-16-8-29-33(12-16)13-21(24)25/h4-12,21H,2-3,13H2,1H3,(H,26,31)
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US Patent
n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
TBD

US Patent US10202390 (2019)


BindingDB Entry DOI: 10.7270/Q28W3GDC
More data for this
Ligand-Target Pair