BDBM50257546 CHEMBL4064589

SMILES: FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CCOCC2)c(Cl)c1

InChI Key: InChIKey=XQCCADHVKCTQDD-UHFFFAOYSA-N

Data: 1 KI  1 Kd  2 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 4 hits for monomerid = 50257546   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257546 (CHEMBL4064589) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C22H22ClF3N4O/c23-17-12-14(3-4-18(17)27-15-6-9-31-10-7-15)16-5-8-30-19(11-13-1-2-13)28-29-21(30)20(16)22(24,25)26/h3-5,8,12-13,15,27H,1-2,6-7,9-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Displacement of [3H]-JNJ46281222 from human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes after 60 mins by microbeta counting a...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257546 (CHEMBL4064589) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C22H22ClF3N4O/c23-17-12-14(3-4-18(17)27-15-6-9-31-10-7-15)16-5-8-30-19(11-13-1-2-13)28-29-21(30)20(16)22(24,25)26/h3-5,8,12-13,15,27H,1-2,6-7,9-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Positive allosteric modulation of human metabotropic glutamate receptor 2 expressed in CHOK1 cells assessed as cellular impedance measured for 20 min...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257546 (CHEMBL4064589) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C22H22ClF3N4O/c23-17-12-14(3-4-18(17)27-15-6-9-31-10-7-15)16-5-8-30-19(11-13-1-2-13)28-29-21(30)20(16)22(24,25)26/h3-5,8,12-13,15,27H,1-2,6-7,9-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Binding affinity to human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes by scintillation proximity assay				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257546 (CHEMBL4064589) Show SMILES FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(NC2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C22H22ClF3N4O/c23-17-12-14(3-4-18(17)27-15-6-9-31-10-7-15)16-5-8-30-19(11-13-1-2-13)28-29-21(30)20(16)22(24,25)26/h3-5,8,12-13,15,27H,1-2,6-7,9-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Division of Medicinal Chemistry, Leiden Academic Centre for Drug Research (LACDR), Leiden University , P.O. Box 9502, 2300RA Leiden, The Netherlands. Curated by ChEMBL					Assay Description Positive allosteric modulation of human metabotropic glutamate receptor 2 expressed in CHOK1 cell membranes assessed as increase in glutamate-induced...				J Med Chem 60: 6704-6720 (2017) Article DOI: 10.1021/acs.jmedchem.7b00669 BindingDB Entry DOI: 10.7270/Q24B33RJ
					More data for this Ligand-Target Pair