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BDBM50357187 CHEMBL1914576

SMILES: [#6]-[#6]1=[#6](C#N)\[#6](-[#8]C1([#6])c1ccc(Cl)c(Cl)c1)=[#6](\C#N)C#N

InChI Key: InChIKey=RSWZFAPYKOARNG-UHFFFAOYSA-N

Data: 1 KI  1 IC50  2 EC50

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 4 hits for monomerid = 50357187   
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 35


(Homo sapiens)
BDBM50357187
PNG
(CHEMBL1914576)
Show SMILES CC1=C(C#N)C(OC1(C)c1ccc(Cl)c(Cl)c1)=C(C#N)C#N
Show InChI InChI=1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
KEGG

UniProtKB/SwissProt

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Article
PubMed
655n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM50357187
PNG
(CHEMBL1914576)
Show SMILES CC1=C(C#N)C(OC1(C)c1ccc(Cl)c(Cl)c1)=C(C#N)C#N
Show InChI InChI=1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells after 1 hr by dynamic mass redistribution assay


J Med Chem 54: 7385-96 (2011)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM50357187
PNG
(CHEMBL1914576)
Show SMILES CC1=C(C#N)C(OC1(C)c1ccc(Cl)c(Cl)c1)=C(C#N)C#N
Show InChI InChI=1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.02E+4n/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and GPR35-GA14-VP16 transcription factor fusion protein assessed as transcrip...


J Med Chem 54: 7385-96 (2011)

More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM50357187
PNG
(CHEMBL1914576)
Show SMILES CC1=C(C#N)C(OC1(C)c1ccc(Cl)c(Cl)c1)=C(C#N)C#N
Show InChI InChI=1S/C16H9Cl2N3O/c1-9-12(8-21)15(10(6-19)7-20)22-16(9,2)11-3-4-13(17)14(18)5-11/h3-5H,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Corning Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 in human HT-29 cells assessed as desensitization of 1 uM zaprinast-induced DMR after 1 hr by dynamic mass redistribution as...


J Med Chem 54: 7385-96 (2011)

More data for this
Ligand-Target Pair