null

SMILES: O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F

InChI Key: InChIKey=YRZDAKBPGIMLEY-WKILWMFISA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50257551   

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))	BDBM50257551 (CHEMBL4077609) Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,wD:1.0,(54.3,-43.98,;54.3,-42.44,;55.64,-41.67,;55.65,-40.12,;54.31,-39.36,;52.98,-40.12,;52.97,-41.66,;54.32,-37.83,;55.65,-37.06,;56.98,-37.83,;58.32,-37.06,;58.32,-35.5,;56.98,-34.74,;55.65,-35.51,;54.32,-34.74,;59.64,-34.73,;60.98,-35.5,;62.31,-34.73,;62.31,-33.19,;63.45,-32.15,;64.95,-32.46,;65.44,-33.93,;65.13,-35.43,;66.59,-34.95,;62.81,-30.75,;61.29,-30.91,;60.97,-32.42,;59.63,-33.19,;58.3,-32.43,;58.29,-30.89,;56.97,-33.2,;56.95,-31.65,)| Show InChI InChI=1S/C23H23ClF3N3O2/c24-18-12-14(3-8-19(18)32-16-6-4-15(31)5-7-16)17-9-10-30-20(11-13-1-2-13)28-29-22(30)21(17)23(25,26)27/h3,8-10,12-13,15-16,31H,1-2,4-7,11H2/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	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))	BDBM50257551 (CHEMBL4077609) Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,wD:1.0,(54.3,-43.98,;54.3,-42.44,;55.64,-41.67,;55.65,-40.12,;54.31,-39.36,;52.98,-40.12,;52.97,-41.66,;54.32,-37.83,;55.65,-37.06,;56.98,-37.83,;58.32,-37.06,;58.32,-35.5,;56.98,-34.74,;55.65,-35.51,;54.32,-34.74,;59.64,-34.73,;60.98,-35.5,;62.31,-34.73,;62.31,-33.19,;63.45,-32.15,;64.95,-32.46,;65.44,-33.93,;65.13,-35.43,;66.59,-34.95,;62.81,-30.75,;61.29,-30.91,;60.97,-32.42,;59.63,-33.19,;58.3,-32.43,;58.29,-30.89,;56.97,-33.2,;56.95,-31.65,)| Show InChI InChI=1S/C23H23ClF3N3O2/c24-18-12-14(3-8-19(18)32-16-6-4-15(31)5-7-16)17-9-10-30-20(11-13-1-2-13)28-29-22(30)21(17)23(25,26)27/h3,8-10,12-13,15-16,31H,1-2,4-7,11H2/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	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
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50257551 (CHEMBL4077609) Show SMILES O[C@H]1CC[C@@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F |r,wU:4.7,wD:1.0,(54.3,-43.98,;54.3,-42.44,;55.64,-41.67,;55.65,-40.12,;54.31,-39.36,;52.98,-40.12,;52.97,-41.66,;54.32,-37.83,;55.65,-37.06,;56.98,-37.83,;58.32,-37.06,;58.32,-35.5,;56.98,-34.74,;55.65,-35.51,;54.32,-34.74,;59.64,-34.73,;60.98,-35.5,;62.31,-34.73,;62.31,-33.19,;63.45,-32.15,;64.95,-32.46,;65.44,-33.93,;65.13,-35.43,;66.59,-34.95,;62.81,-30.75,;61.29,-30.91,;60.97,-32.42,;59.63,-33.19,;58.3,-32.43,;58.29,-30.89,;56.97,-33.2,;56.95,-31.65,)| Show InChI InChI=1S/C23H23ClF3N3O2/c24-18-12-14(3-8-19(18)32-16-6-4-15(31)5-7-16)17-9-10-30-20(11-13-1-2-13)28-29-22(30)21(17)23(25,26)27/h3,8-10,12-13,15-16,31H,1-2,4-7,11H2/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3	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