BDBM50257525 CHEMBL4091370

SMILES: COc1ccc(CNc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1

InChI Key: InChIKey=ZXOJYKOGKAXEMM-UHFFFAOYSA-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 = 50257525   

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))	BDBM50257525 (CHEMBL4091370) Show SMILES COc1ccc(CNc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1 Show InChI InChI=1S/C24H21F4N5O/c1-34-21-7-4-15(13-30-21)12-29-19-6-5-16(11-18(19)25)17-8-9-33-20(10-14-2-3-14)31-32-23(33)22(17)24(26,27)28/h4-9,11,13-14,29H,2-3,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	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))	BDBM50257525 (CHEMBL4091370) Show SMILES COc1ccc(CNc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1 Show InChI InChI=1S/C24H21F4N5O/c1-34-21-7-4-15(13-30-21)12-29-19-6-5-16(11-18(19)25)17-8-9-33-20(10-14-2-3-14)31-32-23(33)22(17)24(26,27)28/h4-9,11,13-14,29H,2-3,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90	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))	BDBM50257525 (CHEMBL4091370) Show SMILES COc1ccc(CNc2ccc(cc2F)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1 Show InChI InChI=1S/C24H21F4N5O/c1-34-21-7-4-15(13-30-21)12-29-19-6-5-16(11-18(19)25)17-8-9-33-20(10-14-2-3-14)31-32-23(33)22(17)24(26,27)28/h4-9,11,13-14,29H,2-3,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.90	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