BDBM50257599 CHEMBL4100691

SMILES: O[C@H]1CC[C@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl

InChI Key: InChIKey=BXDBIBWQAOOKSS-BETUJISGSA-N

Data: 1 KI  1 Kd  1 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 3 hits for monomerid = 50257599   

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))	BDBM50257599 (CHEMBL4100691) Show SMILES O[C@H]1CC[C@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl |r,wU:4.7,1.0,(6.79,-30.4,;6.8,-28.86,;5.47,-28.08,;5.47,-26.55,;6.81,-25.79,;8.14,-26.55,;8.14,-28.09,;6.81,-24.25,;8.15,-23.48,;9.48,-24.25,;10.82,-23.48,;10.81,-21.93,;9.48,-21.16,;8.15,-21.93,;6.81,-21.16,;12.14,-21.15,;13.47,-21.92,;14.8,-21.15,;14.8,-19.61,;15.94,-18.57,;17.45,-18.89,;17.93,-20.35,;16.91,-21.5,;19.44,-20.66,;18.32,-21.83,;15.31,-17.17,;13.78,-17.34,;13.47,-18.84,;12.13,-19.61,;10.79,-18.85,)| Show InChI InChI=1S/C20H18Cl2F3N3O2/c21-15-9-11(1-6-16(15)30-13-4-2-12(29)3-5-13)14-7-8-28-17(10-20(23,24)25)26-27-19(28)18(14)22/h1,6-9,12-13,29H,2-5,10H2/t12-,13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32	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))	BDBM50257599 (CHEMBL4100691) Show SMILES O[C@H]1CC[C@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl |r,wU:4.7,1.0,(6.79,-30.4,;6.8,-28.86,;5.47,-28.08,;5.47,-26.55,;6.81,-25.79,;8.14,-26.55,;8.14,-28.09,;6.81,-24.25,;8.15,-23.48,;9.48,-24.25,;10.82,-23.48,;10.81,-21.93,;9.48,-21.16,;8.15,-21.93,;6.81,-21.16,;12.14,-21.15,;13.47,-21.92,;14.8,-21.15,;14.8,-19.61,;15.94,-18.57,;17.45,-18.89,;17.93,-20.35,;16.91,-21.5,;19.44,-20.66,;18.32,-21.83,;15.31,-17.17,;13.78,-17.34,;13.47,-18.84,;12.13,-19.61,;10.79,-18.85,)| Show InChI InChI=1S/C20H18Cl2F3N3O2/c21-15-9-11(1-6-16(15)30-13-4-2-12(29)3-5-13)14-7-8-28-17(10-20(23,24)25)26-27-19(28)18(14)22/h1,6-9,12-13,29H,2-5,10H2/t12-,13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	98	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))	BDBM50257599 (CHEMBL4100691) Show SMILES O[C@H]1CC[C@H](CC1)Oc1ccc(cc1Cl)-c1ccn2c(CC(F)(F)F)nnc2c1Cl |r,wU:4.7,1.0,(6.79,-30.4,;6.8,-28.86,;5.47,-28.08,;5.47,-26.55,;6.81,-25.79,;8.14,-26.55,;8.14,-28.09,;6.81,-24.25,;8.15,-23.48,;9.48,-24.25,;10.82,-23.48,;10.81,-21.93,;9.48,-21.16,;8.15,-21.93,;6.81,-21.16,;12.14,-21.15,;13.47,-21.92,;14.8,-21.15,;14.8,-19.61,;15.94,-18.57,;17.45,-18.89,;17.93,-20.35,;16.91,-21.5,;19.44,-20.66,;18.32,-21.83,;15.31,-17.17,;13.78,-17.34,;13.47,-18.84,;12.13,-19.61,;10.79,-18.85,)| Show InChI InChI=1S/C20H18Cl2F3N3O2/c21-15-9-11(1-6-16(15)30-13-4-2-12(29)3-5-13)14-7-8-28-17(10-20(23,24)25)26-27-19(28)18(14)22/h1,6-9,12-13,29H,2-5,10H2/t12-,13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.10	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