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BDBM50269693 CHEMBL4062597

SMILES: CN(C1CCN(CC1)c1cc(ncn1)-n1cccn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=WGGKGWBDDNQGLK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50269693   
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))
BDBM50269693
PNG
(CHEMBL4062597)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-n1cccn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H26N8O2/c1-3-10-31-15-19(18-5-9-25-22(18)24(31)34)23(33)29(2)17-6-12-30(13-7-17)20-14-21(27-16-26-20)32-11-4-8-28-32/h3-5,8-9,11,14-17,25H,1,6-7,10,12-13H2,2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.90E+3n/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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50269693
PNG
(CHEMBL4062597)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-n1cccn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H26N8O2/c1-3-10-31-15-19(18-5-9-25-22(18)24(31)34)23(33)29(2)17-6-12-30(13-7-17)20-14-21(27-16-26-20)32-11-4-8-28-32/h3-5,8-9,11,14-17,25H,1,6-7,10,12-13H2,2H3
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
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50269693
PNG
(CHEMBL4062597)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-n1cccn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H26N8O2/c1-3-10-31-15-19(18-5-9-25-22(18)24(31)34)23(33)29(2)17-6-12-30(13-7-17)20-14-21(27-16-26-20)32-11-4-8-28-32/h3-5,8-9,11,14-17,25H,1,6-7,10,12-13H2,2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/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
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50269693
PNG
(CHEMBL4062597)
Show SMILES CN(C1CCN(CC1)c1cc(ncn1)-n1cccn1)C(=O)c1cn(CC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H26N8O2/c1-3-10-31-15-19(18-5-9-25-22(18)24(31)34)23(33)29(2)17-6-12-30(13-7-17)20-14-21(27-16-26-20)32-11-4-8-28-32/h3-5,8-9,11,14-17,25H,1,6-7,10,12-13H2,2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/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