BDBM50211190 CHEMBL3910268

SMILES: COc1cc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2cc1OC

InChI Key: InChIKey=HJUIQWYLMURDJZ-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 = 50211190   

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
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50211190 (CHEMBL3910268) Show SMILES COc1cc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2cc1OC |t:8,THB:19:11:14.15:18.17,(71.43,-3.57,;70.34,-4.65,;68.86,-4.26,;67.77,-5.34,;66.29,-4.94,;65.01,-5.79,;63.81,-4.82,;62.32,-5.23,;61.92,-6.71,;62.9,-7.91,;62.06,-9.2,;60.57,-8.81,;60.87,-10.33,;59.38,-9.64,;57.72,-10.35,;57.5,-8.85,;59.11,-8.16,;59.18,-6.37,;59.66,-7.58,;60.49,-7.27,;64.36,-3.38,;65.9,-3.46,;66.98,-2.38,;68.46,-2.77,;69.54,-1.68,;71.03,-2.07,)| Show InChI InChI=1S/C18H22N4O3S/c1-23-13-7-12-15(8-14(13)24-2)26-17(20-12)21-16-19-9-18(25-16)10-22-5-3-11(18)4-6-22/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20,21)	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	1.10E+4	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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50211190 (CHEMBL3910268) Show SMILES COc1cc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2cc1OC |t:8,THB:19:11:14.15:18.17,(71.43,-3.57,;70.34,-4.65,;68.86,-4.26,;67.77,-5.34,;66.29,-4.94,;65.01,-5.79,;63.81,-4.82,;62.32,-5.23,;61.92,-6.71,;62.9,-7.91,;62.06,-9.2,;60.57,-8.81,;60.87,-10.33,;59.38,-9.64,;57.72,-10.35,;57.5,-8.85,;59.11,-8.16,;59.18,-6.37,;59.66,-7.58,;60.49,-7.27,;64.36,-3.38,;65.9,-3.46,;66.98,-2.38,;68.46,-2.77,;69.54,-1.68,;71.03,-2.07,)| Show InChI InChI=1S/C18H22N4O3S/c1-23-13-7-12-15(8-14(13)24-2)26-17(20-12)21-16-19-9-18(25-16)10-22-5-3-11(18)4-6-22/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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