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BDBM50184417 CHEMBL3823247

SMILES: C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1

InChI Key: InChIKey=CPNJIZRYNQHWHQ-LLVKDONJSA-N

Data: 4 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 4 hits for monomerid = 50184417   
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)
BDBM50184417
PNG
(CHEMBL3823247)
Show SMILES C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50184417
PNG
(CHEMBL3823247)
Show SMILES C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.67E+3n/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


(HUMAN)
BDBM50184417
PNG
(CHEMBL3823247)
Show SMILES C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m1/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 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)
BDBM50184417
PNG
(CHEMBL3823247)
Show SMILES C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 615n/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