BDBM50364703 CHEMBL1951875

SMILES: CNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4F)c3=O)c12

InChI Key: InChIKey=KGJIPHQCBIDCPF-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 = 50364703   

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)	BDBM50364703 (CHEMBL1951875) Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4F)c3=O)c12 Show InChI InChI=1S/C18H14FN3O2S/c1-20-13-5-7-21-17-15(13)11-6-8-22(18(23)16(11)25-17)14-4-3-10(24-2)9-12(14)19/h3-9H,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	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))	BDBM50364703 (CHEMBL1951875) Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4F)c3=O)c12 Show InChI InChI=1S/C18H14FN3O2S/c1-20-13-5-7-21-17-15(13)11-6-8-22(18(23)16(11)25-17)14-4-3-10(24-2)9-12(14)19/h3-9H,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	88	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