BindingDB logo
myBDB logout

BDBM50387244 CHEMBL1549031

SMILES: OC(=O)Cn1c(SCc2ccccc2)nc2ccccc12

InChI Key: InChIKey=MRSJYQOUPBHILP-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50387244   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50387244
PNG
(CHEMBL1549031)
Show SMILES OC(=O)Cn1c(SCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H14N2O2S/c19-15(20)10-18-14-9-5-4-8-13(14)17-16(18)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 388n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGD2 from human CRTh2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 4660-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.087
BindingDB Entry DOI: 10.7270/Q2M32WTH
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50387244
PNG
(CHEMBL1549031)
Show SMILES OC(=O)Cn1c(SCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H14N2O2S/c19-15(20)10-18-14-9-5-4-8-13(14)17-16(18)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>2.00E+5n/an/an/an/an/a



Bioinformatics Institute (BII)

Curated by ChEMBL


Assay Description
Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay


J Med Chem 58: 8285-91 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01216
BindingDB Entry DOI: 10.7270/Q2NS0WR2
More data for this
Ligand-Target Pair