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BDBM50148481 CHEMBL3771005

SMILES: COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2C)cc1

InChI Key: InChIKey=RFSPUQBCFUGQNP-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 = 50148481   
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))
BDBM50148481
PNG
(CHEMBL3771005)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C23H23N3O5S/c1-15-7-5-6-8-22(15)32(28,29)24-18-13-19-20(26(3)23(27)25(19)2)14-21(18)31-17-11-9-16(30-4)10-12-17/h5-14,24H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.47E+3n/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))
BDBM50148481
PNG
(CHEMBL3771005)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C23H23N3O5S/c1-15-7-5-6-8-22(15)32(28,29)24-18-13-19-20(26(3)23(27)25(19)2)14-21(18)31-17-11-9-16(30-4)10-12-17/h5-14,24H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.38E+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))
BDBM50148481
PNG
(CHEMBL3771005)
Show SMILES COc1ccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C23H23N3O5S/c1-15-7-5-6-8-22(15)32(28,29)24-18-13-19-20(26(3)23(27)25(19)2)14-21(18)31-17-11-9-16(30-4)10-12-17/h5-14,24H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 680n/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