BDBM50211209 CHEMBL3907949

SMILES: C1N=C(Nc2ccc(cn2)-c2ccccc2)O[C@]11CN2CCC1CC2

InChI Key: InChIKey=QVNDRAXBTKXDOH-FQEVSTJZSA-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 = 50211209   

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))	BDBM50211209 (CHEMBL3907949) Show SMILES C1N=C(Nc2ccc(cn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,THB:16:17:20.21:24.23,(11.88,-26.96,;12.71,-25.67,;11.74,-24.47,;12.13,-22.98,;13.62,-22.58,;14,-21.1,;15.48,-20.69,;16.59,-21.78,;16.19,-23.27,;14.7,-23.67,;18.07,-21.38,;19.16,-22.47,;20.65,-22.07,;21.05,-20.57,;19.94,-19.48,;18.46,-19.9,;10.3,-25.03,;10.39,-26.57,;10.69,-28.08,;9.19,-27.4,;7.53,-28.11,;7.32,-26.61,;8.92,-25.92,;8.99,-24.14,;9.47,-25.34,)| Show InChI InChI=1S/C20H22N4O/c1-2-4-15(5-3-1)16-6-7-18(21-12-16)23-19-22-13-20(25-19)14-24-10-8-17(20)9-11-24/h1-7,12,17H,8-11,13-14H2,(H,21,22,23)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50211209 (CHEMBL3907949) Show SMILES C1N=C(Nc2ccc(cn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,THB:16:17:20.21:24.23,(11.88,-26.96,;12.71,-25.67,;11.74,-24.47,;12.13,-22.98,;13.62,-22.58,;14,-21.1,;15.48,-20.69,;16.59,-21.78,;16.19,-23.27,;14.7,-23.67,;18.07,-21.38,;19.16,-22.47,;20.65,-22.07,;21.05,-20.57,;19.94,-19.48,;18.46,-19.9,;10.3,-25.03,;10.39,-26.57,;10.69,-28.08,;9.19,-27.4,;7.53,-28.11,;7.32,-26.61,;8.92,-25.92,;8.99,-24.14,;9.47,-25.34,)| Show InChI InChI=1S/C20H22N4O/c1-2-4-15(5-3-1)16-6-7-18(21-12-16)23-19-22-13-20(25-19)14-24-10-8-17(20)9-11-24/h1-7,12,17H,8-11,13-14H2,(H,21,22,23)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair