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BDBM50345919 9-Prop-2-ynylamino-3-p-tolyl-3H-thieno[2,3-d:4,5-d']dipyrimidin-4-one::CHEMBL1784068

SMILES: Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O

InChI Key: InChIKey=YLSUDQILVFXJBQ-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50345919   
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
Metabotropic glutamate receptor


(RAT)
BDBM50345919
PNG
(9-Prop-2-ynylamino-3-p-tolyl-3H-thieno[2,3-d:4,5-d...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Show InChI InChI=1S/C18H13N5OS/c1-3-8-19-16-13-14-15(25-17(13)21-9-20-16)18(24)23(10-22-14)12-6-4-11(2)5-7-12/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50345919
PNG
(9-Prop-2-ynylamino-3-p-tolyl-3H-thieno[2,3-d:4,5-d...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Show InChI InChI=1S/C18H13N5OS/c1-3-8-19-16-13-14-15(25-17(13)21-9-20-16)18(24)23(10-22-14)12-6-4-11(2)5-7-12/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50345919
PNG
(9-Prop-2-ynylamino-3-p-tolyl-3H-thieno[2,3-d:4,5-d...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Show InChI InChI=1S/C18H13N5OS/c1-3-8-19-16-13-14-15(25-17(13)21-9-20-16)18(24)23(10-22-14)12-6-4-11(2)5-7-12/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair