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BDBM310880 7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(2-thienyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one::US10150767, Example 17

SMILES: Cn1cc(-c2ccc3NC(=O)CC(Nc3c2)c2cccs2)c2cc[nH]c2c1=O

InChI Key: InChIKey=CWDDIOTXDKEAJB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 310880   
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))
BDBM310880
PNG
(7-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4...)
Show SMILES Cn1cc(-c2ccc3NC(=O)CC(Nc3c2)c2cccs2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H18N4O2S/c1-25-11-14(13-6-7-22-20(13)21(25)27)12-4-5-15-16(9-12)23-17(10-19(26)24-15)18-3-2-8-28-18/h2-9,11,17,22-23H,10H2,1H3,(H,24,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 58n/an/an/an/an/an/a



Genentech, Inc.; Constellation Pharmaceuticals Inc.

US Patent


Assay Description
His/Flag epitope tagged BRD4 BD142-168 was cloned, expressed, and purified to. BRD4 binding and inhibition was assessed by monitoring the engagement ...


US Patent US10150767 (2018)

More data for this
Ligand-Target Pair