BDBM50364729 CHEMBL1951668

SMILES: CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12

InChI Key: InChIKey=HJEWYPNNQPXFJA-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 50364729   

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 (RAT)	BDBM50364729 (CHEMBL1951668) Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12 Show InChI InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-15-13(9-11)21-10-25-15/h3-10H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat metabotropic glutamate receptor 1				Bioorg Med Chem Lett 22: 1575-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.131 BindingDB Entry DOI: 10.7270/Q2F19063
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50364729 (CHEMBL1951668) Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12 Show InChI InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-15-13(9-11)21-10-25-15/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human metabotropic glutamate receptor 1				Bioorg Med Chem Lett 22: 1575-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.131 BindingDB Entry DOI: 10.7270/Q2F19063
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50364729 (CHEMBL1951668) Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12 Show InChI InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-15-13(9-11)21-10-25-15/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human metabotropic glutamate receptor 5				Bioorg Med Chem Lett 22: 1575-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.131 BindingDB Entry DOI: 10.7270/Q2F19063
					More data for this Ligand-Target Pair