BDBM50113467 CHEMBL3603914::US10246432, Example 14::US10584111, Ex No. 14

SMILES: Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N

InChI Key: InChIKey=RDPNIWXBEYDORQ-UHFFFAOYSA-N

Data: 5 KI  2 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 7 hits for monomerid = 50113467   

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))	BDBM50113467 (CHEMBL3603914 | US10246432, Example 14 | US1058411...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113467 (CHEMBL3603914 | US10246432, Example 14 | US1058411...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...				US Patent US10584111 (2020) BindingDB Entry DOI: 10.7270/Q2BR8VK9
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113467 (CHEMBL3603914 | US10246432, Example 14 | US1058411...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2ZS2ZVS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113467 (CHEMBL3603914 | US10246432, Example 14 | US1058411...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited US Patent					Assay Description Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...				US Patent US10584111 (2020) BindingDB Entry DOI: 10.7270/Q2BR8VK9
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113467 (CHEMBL3603914 | US10246432, Example 14 | US1058411...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis				J Med Chem 58: 6653-64 (2015) BindingDB Entry DOI: 10.7270/Q2H70HMZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113467 (CHEMBL3603914 | US10246432, Example 14 | US1058411...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cresset Curated by ChEMBL					Assay Description Inhibition of mGLU5 (unknown origin)				J Med Chem 62: 3036-3050 (2019) Article DOI: 10.1021/acs.jmedchem.8b01925
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113467 (CHEMBL3603914 | US10246432, Example 14 | US1058411...) Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Ltd. Curated by ChEMBL					Assay Description Negative allosteric modulation at human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-quisqualic acid-induced inositol phospha...				J Med Chem 58: 6653-64 (2015) BindingDB Entry DOI: 10.7270/Q2H70HMZ
					More data for this Ligand-Target Pair