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SMILES: Cc1cc(cn(C)c1=O)-c1nc2cnc(N)cc2n1Cc1ccccc1

InChI Key: InChIKey=JQSJIMVPDSIYHS-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 = 215729   
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
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215729
PNG
(US9296748, II-16)
Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cnc(N)cc2n1Cc1ccccc1
Show InChI InChI=1S/C20H19N5O/c1-13-8-15(12-24(2)20(13)26)19-23-16-10-22-18(21)9-17(16)25(19)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 68n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair