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BDBM209491 US10328074, Example III-32::US9266891, III-32

SMILES: CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N(C)C

InChI Key: InChIKey=WUJOUMVRCGTKNK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 209491   
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
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))		BDBM209491
PNG
(US10328074, Example III-32 | US9266891, III-32)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N(C)C
Show InChI InChI=1S/C24H27N9/c1-15(2)26-22-24-30-29-16(3)32(24)14-20(27-22)23-28-19-10-9-18(31(4)5)12-21(19)33(23)13-17-8-6-7-11-25-17/h6-12,14-15H,13H2,1-5H3,(H,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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
BRD4-BD1 and Histone H4


(Homo sapiens (Human))		BDBM209491
PNG
(US10328074, Example III-32 | US9266891, III-32)
Show SMILES CC(C)Nc1nc(cn2c(C)nnc12)-c1nc2ccc(cc2n1Cc1ccccn1)N(C)C
Show InChI InChI=1S/C24H27N9/c1-15(2)26-22-24-30-29-16(3)32(24)14-20(27-22)23-28-19-10-9-18(31(4)5)12-21(19)33(23)13-17-8-6-7-11-25-17/h6-12,14-15H,13H2,1-5H3,(H,26,27)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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