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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'GRIA1' and Ligand = 'BDBM50184441'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GRIA1


(Homo sapiens (Human))
BDBM50184441
PNG
(CHEMBL3823817)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCC(C)(C)O)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C22H24N4O2S/c1-14(16-5-6-18-19(12-16)29-21(27)24-18)17-9-11-26(25-17)20-7-4-15(13-23-20)8-10-22(2,3)28/h4-7,9,11-14,28H,8,10H2,1-3H3,(H,24,27)/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/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
GRIA1


(Homo sapiens (Human))
BDBM50184441
PNG
(CHEMBL3823817)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCC(C)(C)O)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C22H24N4O2S/c1-14(16-5-6-18-19(12-16)29-21(27)24-18)17-9-11-26(25-17)20-7-4-15(13-23-20)8-10-22(2,3)28/h4-7,9,11-14,28H,8,10H2,1-3H3,(H,24,27)/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.26E+3n/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


(Homo sapiens (Human))
BDBM50184441
PNG
(CHEMBL3823817)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCC(C)(C)O)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C22H24N4O2S/c1-14(16-5-6-18-19(12-16)29-21(27)24-18)17-9-11-26(25-17)20-7-4-15(13-23-20)8-10-22(2,3)28/h4-7,9,11-14,28H,8,10H2,1-3H3,(H,24,27)/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.26E+3n/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