null

SMILES: Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cccnc1

InChI Key: InChIKey=AVGFRDZHGXFJLY-WOJBJXKFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50536714   

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))	BDBM50536714 (CHEMBL4528135) Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cccnc1 |r| Show InChI InChI=1S/C21H14FN3O2/c22-18-7-5-16(6-8-18)20-19(25-21(26)27-20)17-10-15(12-24-13-17)4-3-14-2-1-9-23-11-14/h1-2,5-13,19-20H,(H,25,26)/t19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis				Bioorg Med Chem Lett 26: 4165-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.065
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50536714 (CHEMBL4528135) Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cccnc1 |r| Show InChI InChI=1S/C21H14FN3O2/c22-18-7-5-16(6-8-18)20-19(25-21(26)27-20)17-10-15(12-24-13-17)4-3-14-2-1-9-23-11-14/h1-2,5-13,19-20H,(H,25,26)/t19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	273	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Agonist activity at human mGluR5A transfected in HEK293 cells assessed as induction of calcium release by FLIPR assay				Bioorg Med Chem Lett 26: 4165-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.065
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50536714 (CHEMBL4528135) Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1cccnc1 |r| Show InChI InChI=1S/C21H14FN3O2/c22-18-7-5-16(6-8-18)20-19(25-21(26)27-20)17-10-15(12-24-13-17)4-3-14-2-1-9-23-11-14/h1-2,5-13,19-20H,(H,25,26)/t19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...				Bioorg Med Chem Lett 26: 4165-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.065
					More data for this Ligand-Target Pair