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1 similar compounds to monomer 50184419

Compile data set for download or QSAR
Wt: 387.4
BDBM50184418

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50184418   
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


(Homo sapiens (Human))
BDBM50184418
PNG
(CHEMBL3822572)
Show SMILES Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C20H17N7S/c1-26-9-7-15(25-26)12-27(16-5-6-17-14(10-16)11-22-24-17)20-23-19(13-28-20)18-4-2-3-8-21-18/h2-11,13H,12H2,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
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
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184418
PNG
(CHEMBL3822572)
Show SMILES Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C20H17N7S/c1-26-9-7-15(25-26)12-27(16-5-6-17-14(10-16)11-22-24-17)20-23-19(13-28-20)18-4-2-3-8-21-18/h2-11,13H,12H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


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))
BDBM50184418
PNG
(CHEMBL3822572)
Show SMILES Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C20H17N7S/c1-26-9-7-15(25-26)12-27(16-5-6-17-14(10-16)11-22-24-17)20-23-19(13-28-20)18-4-2-3-8-21-18/h2-11,13H,12H2,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
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 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))
BDBM50184418
PNG
(CHEMBL3822572)
Show SMILES Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C20H17N7S/c1-26-9-7-15(25-26)12-27(16-5-6-17-14(10-16)11-22-24-17)20-23-19(13-28-20)18-4-2-3-8-21-18/h2-11,13H,12H2,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/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