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BDBM348901 (4R)-4-methyl-6-[(E)-2-::US10206931, Example 3

SMILES: C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccncc3)c2N1

InChI Key: InChIKey=FSEFABQRNPVNKI-BTDICHCPSA-N

Data: 2 IC50

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 2 hits for monomerid = 348901   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BRD4 BD1 (aa 42-168)


(Homo sapiens (Human))
BDBM348901
PNG
((4R)-4-methyl-6-[(E)-2- | US10206931, Example 3)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccncc3)c2N1
Show InChI InChI=1S/C17H17N3O/c1-12-11-16(21)20-15-4-2-3-14(17(15)19-12)6-5-13-7-9-18-10-8-13/h2-10,12,19H,11H2,1H3,(H,20,21)/b6-5+/t12-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.25E+4n/an/an/an/an/an/a



Genentech 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 US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM348901
PNG
((4R)-4-methyl-6-[(E)-2- | US10206931, Example 3)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(\C=C\c3ccncc3)c2N1
Show InChI InChI=1S/C17H17N3O/c1-12-11-16(21)20-15-4-2-3-14(17(15)19-12)6-5-13-7-9-18-10-8-13/h2-10,12,19H,11H2,1H3,(H,20,21)/b6-5+/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 608n/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
His/Flag epitope tagged CBP was cloned, expressed, and purified to homogeneity. CBP binding and inhibition was assessed by monitoring the engagement ...


US Patent US10206931 (2019)


BindingDB Entry DOI: 10.7270/Q2GM89FR
More data for this
Ligand-Target Pair