BDBM50259938 CHEMBL4104136

SMILES: C1N=C(Nc2nc3ccccc3o2)NC11CN2CCC1CC2

InChI Key: InChIKey=JXVLQADXUDLXHT-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50259938   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50259938 (CHEMBL4104136) Show SMILES C1N=C(Nc2nc3ccccc3o2)NC11CN2CCC1CC2 |t:1,THB:13:14:17.18:20.21,(44.73,-15.9,;45.88,-14.88,;45.25,-13.47,;46.02,-12.13,;47.57,-12.13,;48.47,-13.37,;49.94,-12.9,;51.27,-13.67,;52.61,-12.9,;52.6,-11.35,;51.27,-10.59,;49.94,-11.35,;48.48,-10.88,;43.72,-13.63,;43.4,-15.13,;43.19,-16.52,;41.27,-15.71,;39.87,-16.64,;40.21,-15.24,;41.91,-14.49,;41.85,-12.85,;41.26,-14.24,)| Show InChI InChI=1S/C16H19N5O/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(20-14)10-21-7-5-11(16)6-8-21/h1-4,11H,5-10H2,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Antagonist activity at 5-HT3A receptor (unknown origin) assessed as decrease in calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 578-581 (2017) Article DOI: 10.1016/j.bmcl.2016.12.014 BindingDB Entry DOI: 10.7270/Q28P62ZN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50259938 (CHEMBL4104136) Show SMILES C1N=C(Nc2nc3ccccc3o2)NC11CN2CCC1CC2 |t:1,THB:13:14:17.18:20.21,(44.73,-15.9,;45.88,-14.88,;45.25,-13.47,;46.02,-12.13,;47.57,-12.13,;48.47,-13.37,;49.94,-12.9,;51.27,-13.67,;52.61,-12.9,;52.6,-11.35,;51.27,-10.59,;49.94,-11.35,;48.48,-10.88,;43.72,-13.63,;43.4,-15.13,;43.19,-16.52,;41.27,-15.71,;39.87,-16.64,;40.21,-15.24,;41.91,-14.49,;41.85,-12.85,;41.26,-14.24,)| Show InChI InChI=1S/C16H19N5O/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(20-14)10-21-7-5-11(16)6-8-21/h1-4,11H,5-10H2,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 578-581 (2017) Article DOI: 10.1016/j.bmcl.2016.12.014 BindingDB Entry DOI: 10.7270/Q28P62ZN
					More data for this Ligand-Target Pair