BDBM50257518 CHEMBL4063313

SMILES: O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1

InChI Key: InChIKey=WJLUROCTNUSXPD-HMRCJKRNSA-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 = 50257518   

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))	BDBM50257518 (CHEMBL4063313) Show SMILES O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1 |r,wU:1.0,4.7,(52.8,-12.87,;53.57,-11.55,;54.91,-10.78,;54.92,-9.24,;53.59,-8.48,;52.25,-9.24,;52.24,-10.77,;53.59,-6.94,;54.92,-6.17,;56.26,-6.94,;57.59,-6.17,;57.59,-4.61,;56.25,-3.85,;54.92,-4.62,;53.59,-3.85,;58.92,-3.84,;60.25,-4.61,;61.58,-3.84,;61.58,-2.29,;62.72,-1.26,;64.23,-1.57,;64.71,-3.04,;64.4,-4.54,;65.86,-4.06,;62.09,.15,;60.56,-.02,;60.24,-1.53,;58.91,-2.3,;57.57,-1.53,;57.57,.01,;56.24,-2.31,;56.23,-.76,;54.33,-12.88,;54.33,-14.41,;55.66,-13.65,)| Show InChI InChI=1S/C26H28ClF3N4O/c27-20-14-16(3-6-21(20)31-18-7-10-25(35,11-8-18)17-4-5-17)19-9-12-34-22(13-15-1-2-15)32-33-24(34)23(19)26(28,29)30/h3,6,9,12,14-15,17-18,31,35H,1-2,4-5,7-8,10-11,13H2/t18-,25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.891	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))	BDBM50257518 (CHEMBL4063313) Show SMILES O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1 |r,wU:1.0,4.7,(52.8,-12.87,;53.57,-11.55,;54.91,-10.78,;54.92,-9.24,;53.59,-8.48,;52.25,-9.24,;52.24,-10.77,;53.59,-6.94,;54.92,-6.17,;56.26,-6.94,;57.59,-6.17,;57.59,-4.61,;56.25,-3.85,;54.92,-4.62,;53.59,-3.85,;58.92,-3.84,;60.25,-4.61,;61.58,-3.84,;61.58,-2.29,;62.72,-1.26,;64.23,-1.57,;64.71,-3.04,;64.4,-4.54,;65.86,-4.06,;62.09,.15,;60.56,-.02,;60.24,-1.53,;58.91,-2.3,;57.57,-1.53,;57.57,.01,;56.24,-2.31,;56.23,-.76,;54.33,-12.88,;54.33,-14.41,;55.66,-13.65,)| Show InChI InChI=1S/C26H28ClF3N4O/c27-20-14-16(3-6-21(20)31-18-7-10-25(35,11-8-18)17-4-5-17)19-9-12-34-22(13-15-1-2-15)32-33-24(34)23(19)26(28,29)30/h3,6,9,12,14-15,17-18,31,35H,1-2,4-5,7-8,10-11,13H2/t18-,25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	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))	BDBM50257518 (CHEMBL4063313) Show SMILES O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1 |r,wU:1.0,4.7,(52.8,-12.87,;53.57,-11.55,;54.91,-10.78,;54.92,-9.24,;53.59,-8.48,;52.25,-9.24,;52.24,-10.77,;53.59,-6.94,;54.92,-6.17,;56.26,-6.94,;57.59,-6.17,;57.59,-4.61,;56.25,-3.85,;54.92,-4.62,;53.59,-3.85,;58.92,-3.84,;60.25,-4.61,;61.58,-3.84,;61.58,-2.29,;62.72,-1.26,;64.23,-1.57,;64.71,-3.04,;64.4,-4.54,;65.86,-4.06,;62.09,.15,;60.56,-.02,;60.24,-1.53,;58.91,-2.3,;57.57,-1.53,;57.57,.01,;56.24,-2.31,;56.23,-.76,;54.33,-12.88,;54.33,-14.41,;55.66,-13.65,)| Show InChI InChI=1S/C26H28ClF3N4O/c27-20-14-16(3-6-21(20)31-18-7-10-25(35,11-8-18)17-4-5-17)19-9-12-34-22(13-15-1-2-15)32-33-24(34)23(19)26(28,29)30/h3,6,9,12,14-15,17-18,31,35H,1-2,4-5,7-8,10-11,13H2/t18-,25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.5	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))	BDBM50257518 (CHEMBL4063313) Show SMILES O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1 |r,wU:1.0,4.7,(52.8,-12.87,;53.57,-11.55,;54.91,-10.78,;54.92,-9.24,;53.59,-8.48,;52.25,-9.24,;52.24,-10.77,;53.59,-6.94,;54.92,-6.17,;56.26,-6.94,;57.59,-6.17,;57.59,-4.61,;56.25,-3.85,;54.92,-4.62,;53.59,-3.85,;58.92,-3.84,;60.25,-4.61,;61.58,-3.84,;61.58,-2.29,;62.72,-1.26,;64.23,-1.57,;64.71,-3.04,;64.4,-4.54,;65.86,-4.06,;62.09,.15,;60.56,-.02,;60.24,-1.53,;58.91,-2.3,;57.57,-1.53,;57.57,.01,;56.24,-2.31,;56.23,-.76,;54.33,-12.88,;54.33,-14.41,;55.66,-13.65,)| Show InChI InChI=1S/C26H28ClF3N4O/c27-20-14-16(3-6-21(20)31-18-7-10-25(35,11-8-18)17-4-5-17)19-9-12-34-22(13-15-1-2-15)32-33-24(34)23(19)26(28,29)30/h3,6,9,12,14-15,17-18,31,35H,1-2,4-5,7-8,10-11,13H2/t18-,25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	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