BDBM50232611 CHEMBL4071859

SMILES: C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2

InChI Key: InChIKey=SJLWITKKKDXWHU-KRWDZBQOSA-N

Data: 1 IC50  4 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 5 hits for monomerid = 50232611   

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
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon (Homo sapiens (Human))	BDBM50232611 (CHEMBL4071859) Show SMILES C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(28.62,-8.14,;29.77,-7.11,;29.14,-5.71,;29.91,-4.37,;31.46,-4.37,;32.22,-5.71,;33.76,-5.71,;34.53,-4.38,;36.07,-4.38,;36.84,-3.04,;36.06,-1.7,;34.52,-1.7,;33.76,-3.04,;32.22,-3.04,;27.61,-5.87,;27.29,-7.37,;27.28,-8.78,;25.11,-8.25,;25.12,-6.45,;25.69,-5.17,;25.76,-6.7,;24.37,-7.46,;24.04,-9.01,)| Show InChI InChI=1S/C17H19N5O/c1-2-4-14-12(3-1)9-18-15(20-14)21-16-19-10-17(23-16)11-22-7-5-13(17)6-8-22/h1-4,9,13H,5-8,10-11H2,(H,18,19,20,21)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at alpha1beta1deltaepsilon nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based ...				Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50232611 (CHEMBL4071859) Show SMILES C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(28.62,-8.14,;29.77,-7.11,;29.14,-5.71,;29.91,-4.37,;31.46,-4.37,;32.22,-5.71,;33.76,-5.71,;34.53,-4.38,;36.07,-4.38,;36.84,-3.04,;36.06,-1.7,;34.52,-1.7,;33.76,-3.04,;32.22,-3.04,;27.61,-5.87,;27.29,-7.37,;27.28,-8.78,;25.11,-8.25,;25.12,-6.45,;25.69,-5.17,;25.76,-6.7,;24.37,-7.46,;24.04,-9.01,)| Show InChI InChI=1S/C17H19N5O/c1-2-4-14-12(3-1)9-18-15(20-14)21-16-19-10-17(23-16)11-22-7-5-13(17)6-8-22/h1-4,9,13H,5-8,10-11H2,(H,18,19,20,21)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at alpha3beta4 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232611 (CHEMBL4071859) Show SMILES C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(28.62,-8.14,;29.77,-7.11,;29.14,-5.71,;29.91,-4.37,;31.46,-4.37,;32.22,-5.71,;33.76,-5.71,;34.53,-4.38,;36.07,-4.38,;36.84,-3.04,;36.06,-1.7,;34.52,-1.7,;33.76,-3.04,;32.22,-3.04,;27.61,-5.87,;27.29,-7.37,;27.28,-8.78,;25.11,-8.25,;25.12,-6.45,;25.69,-5.17,;25.76,-6.7,;24.37,-7.46,;24.04,-9.01,)| Show InChI InChI=1S/C17H19N5O/c1-2-4-14-12(3-1)9-18-15(20-14)21-16-19-10-17(23-16)11-22-7-5-13(17)6-8-22/h1-4,9,13H,5-8,10-11H2,(H,18,19,20,21)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human 5HT3A receptor assessed as inhibition of 5-HT-induced calcium influx by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50232611 (CHEMBL4071859) Show SMILES C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(28.62,-8.14,;29.77,-7.11,;29.14,-5.71,;29.91,-4.37,;31.46,-4.37,;32.22,-5.71,;33.76,-5.71,;34.53,-4.38,;36.07,-4.38,;36.84,-3.04,;36.06,-1.7,;34.52,-1.7,;33.76,-3.04,;32.22,-3.04,;27.61,-5.87,;27.29,-7.37,;27.28,-8.78,;25.11,-8.25,;25.12,-6.45,;25.69,-5.17,;25.76,-6.7,;24.37,-7.46,;24.04,-9.01,)| Show InChI InChI=1S/C17H19N5O/c1-2-4-14-12(3-1)9-18-15(20-14)21-16-19-10-17(23-16)11-22-7-5-13(17)6-8-22/h1-4,9,13H,5-8,10-11H2,(H,18,19,20,21)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50232611 (CHEMBL4071859) Show SMILES C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(28.62,-8.14,;29.77,-7.11,;29.14,-5.71,;29.91,-4.37,;31.46,-4.37,;32.22,-5.71,;33.76,-5.71,;34.53,-4.38,;36.07,-4.38,;36.84,-3.04,;36.06,-1.7,;34.52,-1.7,;33.76,-3.04,;32.22,-3.04,;27.61,-5.87,;27.29,-7.37,;27.28,-8.78,;25.11,-8.25,;25.12,-6.45,;25.69,-5.17,;25.76,-6.7,;24.37,-7.46,;24.04,-9.01,)| Show InChI InChI=1S/C17H19N5O/c1-2-4-14-12(3-1)9-18-15(20-14)21-16-19-10-17(23-16)11-22-7-5-13(17)6-8-22/h1-4,9,13H,5-8,10-11H2,(H,18,19,20,21)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin) assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 1261-1266 (2017) BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair