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BDBM50148470 CHEMBL3771002

SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1

InChI Key: InChIKey=MEWCCJKZDZAUIP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50148470   
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 intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50148470
PNG
(CHEMBL3771002)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-11-9-15(29-3)10-12-17)21(14-20(19)25(2)22(24)26)30-16-7-5-4-6-8-16/h4-14,23H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 740n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-SUMO-1-tagged recombinant human TRIM24 bromodomain expressed in Escherichia coli BL21(DE3)-R3-pRARE2 cells by Alpha Scr...


J Med Chem 59: 1642-7 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50148470
PNG
(CHEMBL3771002)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-11-9-15(29-3)10-12-17)21(14-20(19)25(2)22(24)26)30-16-7-5-4-6-8-16/h4-14,23H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair
Peregrin


(Homo sapiens (Human))
BDBM50148470
PNG
(CHEMBL3771002)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccccc1
Show InChI InChI=1S/C22H21N3O5S/c1-24-19-13-18(23-31(27,28)17-11-9-15(29-3)10-12-17)21(14-20(19)25(2)22(24)26)30-16-7-5-4-6-8-16/h4-14,23H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 340n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of BRPF1B (unknown origin) by Alpha Screen assay


J Med Chem 59: 1642-7 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9S9G
More data for this
Ligand-Target Pair