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BDBM50250910 CHEMBL4072630::US10696655, Example 18

SMILES: Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F

InChI Key: InChIKey=QZTRJRAVSCCLRR-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50250910   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50250910
PNG
(CHEMBL4072630 | US10696655, Example 18)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F
Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250910
PNG
(CHEMBL4072630 | US10696655, Example 18)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F
Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3
PDB
MMDB

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US Patent
n/an/a 19n/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 US10696655 (2020)

More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50250910
PNG
(CHEMBL4072630 | US10696655, Example 18)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F
Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of P300/CBP in human MV4-11 cells assessed as reduction in MYC expression after 4 hrs by luminescence based assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50250910
PNG
(CHEMBL4072630 | US10696655, Example 18)
Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F
Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay


J Med Chem 60: 10151-10171 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01372
BindingDB Entry DOI: 10.7270/Q27S7R65
More data for this
Ligand-Target Pair