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BDBM50503408 CHEMBL4459660

SMILES: Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12

InChI Key: InChIKey=KQBSVASSAQIRTH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50503408   
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
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50503408
PNG
(CHEMBL4459660)
Show SMILES Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50503408
PNG
(CHEMBL4459660)
Show SMILES Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50503408
PNG
(CHEMBL4459660)
Show SMILES Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CECR2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503408
PNG
(CHEMBL4459660)
Show SMILES Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50503408
PNG
(CHEMBL4459660)
Show SMILES Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD9 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50503408
PNG
(CHEMBL4459660)
Show SMILES Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged BRD4 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
More data for this
Ligand-Target Pair