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BDBM50163610 (4-Ethyl-1,2,3,9b-tetraaza-cyclopenta[a]naphthalen-7-yl)-(4-methoxy-cyclohexyl)-methanone::CHEMBL176068

SMILES: CCc1cc2cc(ccc2n2nnnc12)C(=O)[C@@H]1CC[C@@H](CC1)OC

InChI Key: InChIKey=OVXBJBCMDXBJRI-AKAXFMLLSA-N

Data: 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 2 hits for monomerid = 50163610   
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)
BDBM50163610
PNG
((4-Ethyl-1,2,3,9b-tetraaza-cyclopenta[a]naphthalen...)
Show SMILES CCc1cc2cc(ccc2n2nnnc12)C(=O)[C@@H]1CC[C@@H](CC1)OC
Show InChI InChI=1S/C19H22N4O2/c1-3-12-10-15-11-14(6-9-17(15)23-19(12)20-21-22-23)18(24)13-4-7-16(25-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3/t13-,16+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163610
PNG
((4-Ethyl-1,2,3,9b-tetraaza-cyclopenta[a]naphthalen...)
Show SMILES CCc1cc2cc(ccc2n2nnnc12)C(=O)[C@@H]1CC[C@@H](CC1)OC
Show InChI InChI=1S/C19H22N4O2/c1-3-12-10-15-11-14(6-9-17(15)23-19(12)20-21-22-23)18(24)13-4-7-16(25-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3/t13-,16+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair