BDBM50071335 CHEMBL3410217

SMILES: Cc1nc(cn1-c1ccc(cc1)C#N)C#Cc1ccnc(C)c1

InChI Key: InChIKey=OILWBSOAXIAPNC-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 = 50071335   

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))	BDBM50071335 (CHEMBL3410217) Show SMILES Cc1nc(cn1-c1ccc(cc1)C#N)C#Cc1ccnc(C)c1 Show InChI InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay				J Med Chem 58: 1358-71 (2015) Article DOI: 10.1021/jm501642c BindingDB Entry DOI: 10.7270/Q2J96825
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50071335 (CHEMBL3410217) Show SMILES Cc1nc(cn1-c1ccc(cc1)C#N)C#Cc1ccnc(C)c1 Show InChI InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Roche Pharmaceutical Research and Early Development Curated by ChEMBL					Assay Description Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...				J Med Chem 58: 1358-71 (2015) Article DOI: 10.1021/jm501642c BindingDB Entry DOI: 10.7270/Q2J96825
					More data for this Ligand-Target Pair