BDBM50201558 CHEMBL3895289

SMILES: Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12

InChI Key: InChIKey=NGXLNVSVVQPEMX-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 = 50201558   

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))	BDBM50201558 (CHEMBL3895289) Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	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 5 (Homo sapiens (Human))	BDBM50201558 (CHEMBL3895289) Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)	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	30	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
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50201558 (CHEMBL3895289) Show SMILES Clc1cccc(c1)-c1n[nH]c2nc(-c3ccccc3)c(C#N)c(C3CC3)c12 Show InChI InChI=1S/C22H15ClN4/c23-16-8-4-7-15(11-16)21-19-18(13-9-10-13)17(12-24)20(25-22(19)27-26-21)14-5-2-1-3-6-14/h1-8,11,13H,9-10H2,(H,25,26,27)	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	27	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