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BDBM41627 3-(2-pyridinyl)-6-(trifluoromethyl)-2-thieno[3,2-b]pyridinecarboxylic acid::3-(2-pyridyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid::3-pyridin-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid::SR-01000726490-2::cid_1486480

SMILES: OC(=O)c1sc2cc(cnc2c1-c1ccccn1)C(F)(F)F

InChI Key: InChIKey=KJEHNVDRRPVEOU-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 = 41627   
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
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41627
PNG
(3-(2-pyridinyl)-6-(trifluoromethyl)-2-thieno[3,2-b...)
Show SMILES OC(=O)c1sc2cc(cnc2c1-c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C14H7F3N2O2S/c15-14(16,17)7-5-9-11(19-6-7)10(12(22-9)13(20)21)8-3-1-2-4-18-8/h1-6H,(H,20,21)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WQ027W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 2


(Homo sapiens (Human))
BDBM41627
PNG
(3-(2-pyridinyl)-6-(trifluoromethyl)-2-thieno[3,2-b...)
Show SMILES OC(=O)c1sc2cc(cnc2c1-c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C14H7F3N2O2S/c15-14(16,17)7-5-9-11(19-6-7)10(12(22-9)13(20)21)8-3-1-2-4-18-8/h1-6H,(H,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2B56H4Q
More data for this
Ligand-Target Pair