BDBM50439755 CHEMBL2419438

SMILES: CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(c1C)[N+]([O-])=O

InChI Key: InChIKey=NMHFNABMCDUOFJ-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 = 50439755   

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
Glycine transporter 1 (attus norvegicus (Rat))	BDBM50439755 (CHEMBL2419438) Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(c1C)[N+]([O-])=O |(33.7,-35.11,;32.43,-35.98,;31.05,-35.32,;30.57,-33.85,;29.03,-33.86,;28.55,-35.32,;27.22,-36.08,;25.89,-35.3,;24.56,-36.06,;24.55,-37.6,;25.88,-38.38,;27.22,-37.62,;23.21,-38.36,;21.88,-37.58,;20.54,-38.35,;20.54,-39.89,;21.87,-40.66,;23.21,-39.9,;29.8,-36.23,;29.81,-37.77,;28.48,-38.54,;28.48,-40.08,;29.81,-40.85,;31.15,-40.08,;31.14,-38.53,;32.47,-37.75,;32.48,-40.84,;32.49,-42.38,;33.81,-40.08,)| Show InChI InChI=1S/C23H20N4O2/c1-3-22-24-25-23(26(22)20-10-7-11-21(16(20)2)27(28)29)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	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
Glycine transporter 2 (Rattus norvegicus)	BDBM50439755 (CHEMBL2419438) Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(c1C)[N+]([O-])=O |(33.7,-35.11,;32.43,-35.98,;31.05,-35.32,;30.57,-33.85,;29.03,-33.86,;28.55,-35.32,;27.22,-36.08,;25.89,-35.3,;24.56,-36.06,;24.55,-37.6,;25.88,-38.38,;27.22,-37.62,;23.21,-38.36,;21.88,-37.58,;20.54,-38.35,;20.54,-39.89,;21.87,-40.66,;23.21,-39.9,;29.8,-36.23,;29.81,-37.77,;28.48,-38.54,;28.48,-40.08,;29.81,-40.85,;31.15,-40.08,;31.14,-38.53,;32.47,-37.75,;32.48,-40.84,;32.49,-42.38,;33.81,-40.08,)| Show InChI InChI=1S/C23H20N4O2/c1-3-22-24-25-23(26(22)20-10-7-11-21(16(20)2)27(28)29)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	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