BDBM50240880 CHEMBL4060880

SMILES: O=c1cc(SCc2ccccn2)nc2ccccn12

InChI Key: InChIKey=BPQHMBSDSOMOQL-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50240880   

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))	BDBM50240880 (CHEMBL4060880) Show SMILES O=c1cc(SCc2ccccn2)nc2ccccn12 Show InChI InChI=1S/C14H11N3OS/c18-14-9-13(16-12-6-2-4-8-17(12)14)19-10-11-5-1-3-7-15-11/h1-9H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50240880 (CHEMBL4060880) Show SMILES O=c1cc(SCc2ccccn2)nc2ccccn12 Show InChI InChI=1S/C14H11N3OS/c18-14-9-13(16-12-6-2-4-8-17(12)14)19-10-11-5-1-3-7-15-11/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Competitive inhibitory activity against rat liver S-adenosyl-L-homocysteine hydrolase				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair