BDBM50364691 CHEMBL1951682

SMILES: CCCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12

InChI Key: InChIKey=PUVOFAJSZNCMQY-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 = 50364691   

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)	BDBM50364691 (CHEMBL1951682) Show SMILES CCCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12 Show InChI InChI=1S/C20H19N3O2S/c1-3-10-21-16-8-11-22-19-17(16)15-9-12-23(20(24)18(15)26-19)13-4-6-14(25-2)7-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	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))	BDBM50364691 (CHEMBL1951682) Show SMILES CCCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12 Show InChI InChI=1S/C20H19N3O2S/c1-3-10-21-16-8-11-22-19-17(16)15-9-12-23(20(24)18(15)26-19)13-4-6-14(25-2)7-5-13/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	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