BindingDB logo
myBDB logout

BDBM50184442 CHEMBL3823351

SMILES: C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1

InChI Key: InChIKey=NLLJBKWGHPARPW-LBPRGKRZSA-N

Data: 3 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 = 50184442   
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
GRIA1


(HUMAN)
BDBM50184442
PNG
(CHEMBL3823351)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50184442
PNG
(CHEMBL3823351)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.57E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(HUMAN)
BDBM50184442
PNG
(CHEMBL3823351)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair