BindingDB logo
myBDB logout

BDBM50399448 CHEMBL1230189

SMILES: CN1Cc2ccccc2NC1=O

InChI Key: InChIKey=GINUUQLRYXHAPB-UHFFFAOYSA-N

Data: 2 IC50  8 Kd

PDB links: 3 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 10 hits for monomerid = 50399448   
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/p53


(Homo sapiens (human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
PubMed
n/an/a 2.94E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of CBP (unknown origin) by alphascreen assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BRD4 isoform 1 by AlphaScreen assay


J Med Chem 55: 9831-7 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/an/a 2.04E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 0.5% DMSO by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
PubMed
n/an/an/a 5.03E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 0.5% DMSO by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/an/a 3.89E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 1% DMSO by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
PubMed
n/an/an/a 3.10E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 3% DMSO by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/an/a 1.70E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using methanol by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
PubMed
n/an/an/a 1.03E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using 1% DMSO by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CREB-binding protein/p53


(Homo sapiens (human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
PubMed
n/an/an/a 3.77E+4n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21(DE3)-R3 using methanol by SPR assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50399448
PNG
(CHEMBL1230189)
Show SMILES CN1Cc2ccccc2NC1=O
Show InChI InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/an/a 1.02E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 using 3% DMSO by SPR assay


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