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BDBM50148457 CHEMBL3769509

SMILES: Cn1cc(-c2ccccc2)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1

InChI Key: InChIKey=TTYKSANGMNELCB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50148457   
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))
BDBM50148457
PNG
(CHEMBL3769509)
Show SMILES Cn1cc(-c2ccccc2)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H21N3O3S2/c1-23-12-16(13-5-3-2-4-6-13)18-15(20(23)24)11-17(27-18)19(21)22-14-7-9-28(25,26)10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H2,21,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50148457
PNG
(CHEMBL3769509)
Show SMILES Cn1cc(-c2ccccc2)c2sc(cc2c1=O)C(=N)NC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H21N3O3S2/c1-23-12-16(13-5-3-2-4-6-13)18-15(20(23)24)11-17(27-18)19(21)22-14-7-9-28(25,26)10-8-14/h2-6,11-12,14H,7-10H2,1H3,(H2,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay


J Med Chem 59: 1425-39 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3VMP
More data for this
Ligand-Target Pair