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BDBM50495430 CHEMBL3108803

SMILES: Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1

InChI Key: InChIKey=RHPSSUMJYGAMNR-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 = 50495430   
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))
BDBM50495430
PNG
(CHEMBL3108803)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-22-5-3-2-4-21(22)25(30-33(17)26)18-6-11-24(32-12-14-36-15-13-32)23(16-18)31-37(34,35)20-9-7-19(27)8-10-20/h2-11,16,31H,12-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H2K9(Ac)K13(Ac)K15(Ac) peptide from BRD9 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Cat eye syndrome critical region protein 2


(Homo sapiens (Human))
BDBM50495430
PNG
(CHEMBL3108803)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-22-5-3-2-4-21(22)25(30-33(17)26)18-6-11-24(32-12-14-36-15-13-32)23(16-18)31-37(34,35)20-9-7-19(27)8-10-20/h2-11,16,31H,12-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from CECR2 bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50495430
PNG
(CHEMBL3108803)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-22-5-3-2-4-21(22)25(30-33(17)26)18-6-11-24(32-12-14-36-15-13-32)23(16-18)31-37(34,35)20-9-7-19(27)8-10-20/h2-11,16,31H,12-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H4Ac4 peptide from BRD4 bromodomain-1 (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50495430
PNG
(CHEMBL3108803)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H23ClN6O3S/c1-17-28-29-26-22-5-3-2-4-21(22)25(30-33(17)26)18-6-11-24(32-12-14-36-15-13-32)23(16-18)31-37(34,35)20-9-7-19(27)8-10-20/h2-11,16,31H,12-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 631n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of H3K56(Ac) peptide from CREBBP bromodomain (unknown origin) by AlphaScreen assay


J Med Chem 57: 462-76 (2014)


Article DOI: 10.1021/jm401568s
BindingDB Entry DOI: 10.7270/Q2CC13PD
More data for this
Ligand-Target Pair