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BDBM349486 US10206931, Example 294::methyl-6-(1-

SMILES: CN\C=C(/C=N)c1ccc2N(CC[C@H](C)c2c1)c1cccc2NC(=O)C[C@@H](C)Nc12

InChI Key: InChIKey=AWKZKSSSAAVVMA-BVDQGFEBSA-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 = 349486   
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))
BDBM349486
PNG
(US10206931, Example 294 | methyl-6-(1-)
Show SMILES CN\C=C(/C=N)c1ccc2N(CC[C@H](C)c2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C24H29N5O/c1-15-9-10-29(21-8-7-17(12-19(15)21)18(13-25)14-26-3)22-6-4-5-20-24(22)27-16(2)11-23(30)28-20/h4-8,12-16,25-27H,9-11H2,1-3H3,(H,28,30)/b18-14+,25-13?/t15-,16+/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.98E+3n/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 US10206931 (2019)


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


(Homo sapiens (Human))
BDBM349486
PNG
(US10206931, Example 294 | methyl-6-(1-)
Show SMILES CN\C=C(/C=N)c1ccc2N(CC[C@H](C)c2c1)c1cccc2NC(=O)C[C@@H](C)Nc12 |r|
Show InChI InChI=1S/C24H29N5O/c1-15-9-10-29(21-8-7-17(12-19(15)21)18(13-25)14-26-3)22-6-4-5-20-24(22)27-16(2)11-23(30)28-20/h4-8,12-16,25-27H,9-11H2,1-3H3,(H,28,30)/b18-14+,25-13?/t15-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, 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