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BDBM50030894 CHEMBL3356559

SMILES: Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C

InChI Key: InChIKey=YXPVTKHEWGXKEY-UHFFFAOYSA-N

Data: 1 IC50  3 Kd

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 50030894   
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))
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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PubMed
n/an/an/a 550n/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Binding affinity to BRD4 (unknown origin) by isothermal titration colorimetry


J Med Chem 57: 9019-27 (2014)

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


(Homo sapiens (Human))
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
PDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 637n/an/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) by biotinylated-JQ1 based AlphaScreen BRD binding assay


J Med Chem 57: 9019-27 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription initiation factor TFIID subunit 1-like


(Homo sapiens)
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
PDB

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PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Binding affinity to TAF1L (unknown origin) by bromodomain displacement assay


J Med Chem 57: 9019-27 (2014)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens)
BDBM50030894
PNG
(CHEMBL3356559)
Show SMILES Cc1noc(C)c1-c1ccc(cc1)-c1nc2cnccn2c1NC(C)(C)C
Show InChI InChI=1S/C21H23N5O/c1-13-18(14(2)27-25-13)15-6-8-16(9-7-15)19-20(24-21(3,4)5)26-11-10-22-12-17(26)23-19/h6-12,24H,1-5H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 560n/an/an/an/an/a



Dana-Farber Institute

Curated by ChEMBL


Assay Description
Binding affinity to TAF1 (unknown origin) by bromodomain displacement assay


J Med Chem 57: 9019-27 (2014)

More data for this
Ligand-Target Pair