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BDBM209452 US10328074, Example I-4::US9266891, I-4

SMILES: CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Cc1ccccc1

InChI Key: InChIKey=JAXAHBJRANHVLF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 209452   
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 [42-168]


(Homo sapiens (Human))		BDBM209452
PNG
(US10328074, Example I-4 | US9266891, I-4)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Cc1ccccc1
Show InChI InChI=1S/C19H21N7/c1-12-15(10-14-8-6-5-7-9-14)17(24-25(12)4)16-11-26-13(2)22-23-19(26)18(20-3)21-16/h5-9,11H,10H2,1-4H3,(H,20,21)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Duquesne University



Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...

Bioorg Med Chem 17: 7324-36 (2009)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]/Histone H4


(Homo sapiens (Human))		BDBM209452
PNG
(US10328074, Example I-4 | US9266891, I-4)
Show SMILES CNc1nc(cn2c(C)nnc12)-c1nn(C)c(C)c1Cc1ccccc1
Show InChI InChI=1S/C19H21N7/c1-12-15(10-14-8-6-5-7-9-14)17(24-25(12)4)16-11-26-13(2)22-23-19(26)18(20-3)21-16/h5-9,11H,10H2,1-4H3,(H,20,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/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 uM start concentration) in white OptiPlate-384 (PerkinElme...

US Patent US9266891 (2016)


BindingDB Entry DOI: 10.7270/Q23X85G7
More data for this
Ligand-Target Pair