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BDBM50148464 CHEMBL3771106

SMILES: Cn1c2ccc(NS(=O)(=O)c3ccc4OC(C)(C)CCc4c3)cc2n(C)c1=O

InChI Key: InChIKey=QJMFTSYRHAJTEU-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 = 50148464   
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))
BDBM50148464
PNG
(CHEMBL3771106)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4OC(C)(C)CCc4c3)cc2n(C)c1=O
Show InChI InChI=1S/C20H23N3O4S/c1-20(2)10-9-13-11-15(6-8-18(13)27-20)28(25,26)21-14-5-7-16-17(12-14)23(4)19(24)22(16)3/h5-8,11-12,21H,9-10H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.69E+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))
BDBM50148464
PNG
(CHEMBL3771106)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4OC(C)(C)CCc4c3)cc2n(C)c1=O
Show InChI InChI=1S/C20H23N3O4S/c1-20(2)10-9-13-11-15(6-8-18(13)27-20)28(25,26)21-14-5-7-16-17(12-14)23(4)19(24)22(16)3/h5-8,11-12,21H,9-10H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.46E+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))
BDBM50148464
PNG
(CHEMBL3771106)
Show SMILES Cn1c2ccc(NS(=O)(=O)c3ccc4OC(C)(C)CCc4c3)cc2n(C)c1=O
Show InChI InChI=1S/C20H23N3O4S/c1-20(2)10-9-13-11-15(6-8-18(13)27-20)28(25,26)21-14-5-7-16-17(12-14)23(4)19(24)22(16)3/h5-8,11-12,21H,9-10H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 310n/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