BindingDB logo
myBDB logout

BDBM50209103 CHEMBL3885379

SMILES: FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12

InChI Key: InChIKey=LETPPZNSGLCXSE-VTLFJGNJNA-N

Data: 1 KI  2 IC50  3 EC50

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 6 hits for monomerid = 50209103   
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 2


(Homo sapiens (Human))
BDBM50209103
PNG
(CHEMBL3885379)
Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2/t14-,16-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-JNJ-40068782 from human mGlu2 receptor expressed in HEK293 cell membranes coexpressing rat glutamate transporter measured after ...


Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50209103
PNG
(CHEMBL3885379)
Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2/t14-,16-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 530n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at humanized monkey mGlu2 receptor expressed in HEK293 cells co-expressing Gqi5 measured for 3 mins by Fluo-4 dye based FLIPR assay


Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50209103
PNG
(CHEMBL3885379)
Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2/t14-,16-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 890n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu3 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production measu...


Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50209103
PNG
(CHEMBL3885379)
Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2/t14-,16-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50209103
PNG
(CHEMBL3885379)
Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2/t14-,16-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2C19 (unknown origin)


Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50209103
PNG
(CHEMBL3885379)
Show SMILES FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1/C21H19ClF3N3O/c22-15-5-3-13(4-6-15)16-10-14(16)11-29-17-7-8-28-18(9-12-1-2-12)26-27-20(28)19(17)21(23,24)25/h3-8,12,14,16H,1-2,9-11H2/t14-,16-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.40n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in HEK293 cells coexpressing rat glutamate transporter assessed as inhibition of for...


Bioorg Med Chem 25: 496-513 (2017)


Article DOI: 10.1016/j.bmc.2016.11.018
BindingDB Entry DOI: 10.7270/Q2QR504D
More data for this
Ligand-Target Pair