BDBM50439745 CHEMBL2419423

SMILES: CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C

InChI Key: InChIKey=CNJJGPFTJIJTFI-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50439745   

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
Sodium- and chloride-dependent glycine transporter 2 (Rattus norvegicus)	BDBM50439745 (CHEMBL2419423) Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C |(36.18,-5.89,;34.91,-6.76,;33.52,-6.09,;33.04,-4.63,;31.5,-4.63,;31.03,-6.1,;29.7,-6.86,;28.37,-6.08,;27.03,-6.84,;27.02,-8.38,;28.36,-9.16,;29.69,-8.39,;25.69,-9.14,;24.36,-8.36,;23.02,-9.12,;23.01,-10.66,;24.35,-11.44,;25.68,-10.67,;32.28,-7,;32.28,-8.54,;30.95,-9.31,;30.95,-10.85,;32.29,-11.63,;33.62,-10.85,;33.62,-9.3,;34.95,-8.53,)| Show InChI InChI=1S/C23H21N3/c1-3-22-24-25-23(26(22)21-12-8-7-9-17(21)2)20-15-13-19(14-16-20)18-10-5-4-6-11-18/h4-16H,3H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis				J Med Chem 56: 5744-56 (2014) Article DOI: 10.1021/jm400383w BindingDB Entry DOI: 10.7270/Q2D79CVX
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50439745 (CHEMBL2419423) Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C |(36.18,-5.89,;34.91,-6.76,;33.52,-6.09,;33.04,-4.63,;31.5,-4.63,;31.03,-6.1,;29.7,-6.86,;28.37,-6.08,;27.03,-6.84,;27.02,-8.38,;28.36,-9.16,;29.69,-8.39,;25.69,-9.14,;24.36,-8.36,;23.02,-9.12,;23.01,-10.66,;24.35,-11.44,;25.68,-10.67,;32.28,-7,;32.28,-8.54,;30.95,-9.31,;30.95,-10.85,;32.29,-11.63,;33.62,-10.85,;33.62,-9.3,;34.95,-8.53,)| Show InChI InChI=1S/C23H21N3/c1-3-22-24-25-23(26(22)21-12-8-7-9-17(21)2)20-15-13-19(14-16-20)18-10-5-4-6-11-18/h4-16H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...				J Med Chem 56: 5744-56 (2014) Article DOI: 10.1021/jm400383w BindingDB Entry DOI: 10.7270/Q2D79CVX
					More data for this Ligand-Target Pair