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BDBM50269703 CHEMBL4089866

SMILES: CC(N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12)c1ccccc1

InChI Key: InChIKey=OGCZSQWQJLMMAE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50269703   
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 9


(Homo sapiens (Human))
BDBM50269703
PNG
(CHEMBL4089866)
Show SMILES CC(N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-4-14-29-17-22(21-10-13-26-23(21)25(29)31)24(30)27(3)20-11-15-28(16-12-20)18(2)19-8-6-5-7-9-19/h4-10,13,17-18,20,26H,1,11-12,14-16H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD9 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET as...


ACS Med Chem Lett 8: 737-741 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00132
BindingDB Entry DOI: 10.7270/Q2862JXN
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50269703
PNG
(CHEMBL4089866)
Show SMILES CC(N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-4-14-29-17-22(21-10-13-26-23(21)25(29)31)24(30)27(3)20-11-15-28(16-12-20)18(2)19-8-6-5-7-9-19/h4-10,13,17-18,20,26H,1,11-12,14-16H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.61E+4n/an/an/an/an/an/a



Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged TAF1 bromodomain 2 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins...


ACS Med Chem Lett 8: 737-741 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00132
BindingDB Entry DOI: 10.7270/Q2862JXN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50269703
PNG
(CHEMBL4089866)
Show SMILES CC(N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-4-14-29-17-22(21-10-13-26-23(21)25(29)31)24(30)27(3)20-11-15-28(16-12-20)18(2)19-8-6-5-7-9-19/h4-10,13,17-18,20,26H,1,11-12,14-16H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD4 bromodomain 2 (unknown origin) expressed in Rosetta2 (DE3) pLysS cells after 60 mins...


ACS Med Chem Lett 8: 737-741 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00132
BindingDB Entry DOI: 10.7270/Q2862JXN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50269703
PNG
(CHEMBL4089866)
Show SMILES CC(N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-4-14-29-17-22(21-10-13-26-23(21)25(29)31)24(30)27(3)20-11-15-28(16-12-20)18(2)19-8-6-5-7-9-19/h4-10,13,17-18,20,26H,1,11-12,14-16H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged BRD4 bromodomain 1 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00132
BindingDB Entry DOI: 10.7270/Q2862JXN
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269703
PNG
(CHEMBL4089866)
Show SMILES CC(N1CCC(CC1)N(C)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-4-14-29-17-22(21-10-13-26-23(21)25(29)31)24(30)27(3)20-11-15-28(16-12-20)18(2)19-8-6-5-7-9-19/h4-10,13,17-18,20,26H,1,11-12,14-16H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Genentech Inc., 1 DNA Way, South San Francisco, California 94080, United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-FLAG-tagged CECR2 expressed in Rosetta2 (DE3) pLysS cells after 60 mins by TR-FRET assay


ACS Med Chem Lett 8: 737-741 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00132
BindingDB Entry DOI: 10.7270/Q2862JXN
More data for this
Ligand-Target Pair