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BDBM50200445 CHEMBL3897393::US9763922, Example 300

SMILES: CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@H]1CCOC1

InChI Key: InChIKey=NKOJNOBJGYTLLZ-KRWDZBQOSA-N

Data: 2 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

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 3 hits for monomerid = 50200445   
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
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200445
PNG
(CHEMBL3897393 | US9763922, Example 300)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@H]1CCOC1
Show InChI InChI=1S/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of CBP/EP300 in human MV4-11 cells assessed as inhibition of MYC expression measured after 4 hrs by luminescence analysis


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200445
PNG
(CHEMBL3897393 | US9763922, Example 300)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@H]1CCOC1
Show InChI InChI=1S/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 5.49E+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 US9763922 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein


(Homo sapiens (Human))
BDBM50200445
PNG
(CHEMBL3897393 | US9763922, Example 300)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@H]1CCOC1
Show InChI InChI=1S/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 22n/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 US9763922 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)