BDBM50201541 CHEMBL3966581

SMILES: Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N

InChI Key: InChIKey=UZPRZZZNQXEIOA-UHFFFAOYSA-N

Data: 2 IC50  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 = 50201541   

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 5 (Homo sapiens (Human))	BDBM50201541 (CHEMBL3966581) Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N Show InChI InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from human mGlu5 receptor expressed in HEK293 cell membranes after 8 hrs by micro beta scintillation counting analys...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50201541 (CHEMBL3966581) Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N Show InChI InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [3H]-MethoxyPEPy from mGlu5 receptor in primary rat astrocytes after 8 hrs by micro beta scintillation counting analysis				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50201541 (CHEMBL3966581) Show SMILES Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N Show InChI InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor (unknown origin) assessed as increase in L-glutamate-induced calcium release after 60 mins by cell b...				ACS Med Chem Lett 7: 1082-1086 (2016) Article DOI: 10.1021/acsmedchemlett.6b00292 BindingDB Entry DOI: 10.7270/Q2BK1FBT
					More data for this Ligand-Target Pair