BDBM50536704 CHEMBL4580610

SMILES: O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cncc(c1)C#Cc1ccccc1

InChI Key: InChIKey=AFTXLGIZWWXYTD-NHCUHLMSSA-N

Data: 1 KI  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 3 hits for monomerid = 50536704   

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))	BDBM50536704 (CHEMBL4580610) Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-13-17(14-23-15-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	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))	BDBM50536704 (CHEMBL4580610) Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-13-17(14-23-15-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/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	>3.00E+3	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))	BDBM50536704 (CHEMBL4580610) Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cncc(c1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-13-17(14-23-15-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/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	0.700	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