BDBM50232615 CHEMBL4091037

SMILES: Cc1nccnc1NC1=NC[C@@]2(CN3CCC2CC3)O1

InChI Key: InChIKey=CEFNFRDRECRSSF-AWEZNQCLSA-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 = 50232615   

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))	BDBM50232615 (CHEMBL4091037) Show SMILES Cc1nccnc1NC1=NC[C@@]2(CN3CCC2CC3)O1 |r,wU:11.21,t:9,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(8.41,-30.01,;9.19,-31.34,;10.73,-31.33,;11.5,-32.68,;10.73,-34.01,;9.19,-34.01,;8.42,-32.67,;6.88,-32.67,;6.11,-34.01,;6.73,-35.42,;5.59,-36.44,;4.25,-35.67,;4.24,-37.09,;2.07,-36.55,;2.08,-34.75,;2.65,-33.47,;2.73,-35,;1.33,-35.76,;1,-37.31,;4.58,-34.17,)| Show InChI InChI=1S/C14H19N5O/c1-10-12(16-5-4-15-10)18-13-17-8-14(20-13)9-19-6-2-11(14)3-7-19/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)/t14-/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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50232615 (CHEMBL4091037) Show SMILES Cc1nccnc1NC1=NC[C@@]2(CN3CCC2CC3)O1 |r,wU:11.21,t:9,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(8.41,-30.01,;9.19,-31.34,;10.73,-31.33,;11.5,-32.68,;10.73,-34.01,;9.19,-34.01,;8.42,-32.67,;6.88,-32.67,;6.11,-34.01,;6.73,-35.42,;5.59,-36.44,;4.25,-35.67,;4.24,-37.09,;2.07,-36.55,;2.08,-34.75,;2.65,-33.47,;2.73,-35,;1.33,-35.76,;1,-37.31,;4.58,-34.17,)| Show InChI InChI=1S/C14H19N5O/c1-10-12(16-5-4-15-10)18-13-17-8-14(20-13)9-19-6-2-11(14)3-7-19/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)/t14-/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
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50232615 (CHEMBL4091037) Show SMILES Cc1nccnc1NC1=NC[C@@]2(CN3CCC2CC3)O1 |r,wU:11.21,t:9,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(8.41,-30.01,;9.19,-31.34,;10.73,-31.33,;11.5,-32.68,;10.73,-34.01,;9.19,-34.01,;8.42,-32.67,;6.88,-32.67,;6.11,-34.01,;6.73,-35.42,;5.59,-36.44,;4.25,-35.67,;4.24,-37.09,;2.07,-36.55,;2.08,-34.75,;2.65,-33.47,;2.73,-35,;1.33,-35.76,;1,-37.31,;4.58,-34.17,)| Show InChI InChI=1S/C14H19N5O/c1-10-12(16-5-4-15-10)18-13-17-8-14(20-13)9-19-6-2-11(14)3-7-19/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)/t14-/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	2.10E+3	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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50232615 (CHEMBL4091037) Show SMILES Cc1nccnc1NC1=NC[C@@]2(CN3CCC2CC3)O1 |r,wU:11.21,t:9,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(8.41,-30.01,;9.19,-31.34,;10.73,-31.33,;11.5,-32.68,;10.73,-34.01,;9.19,-34.01,;8.42,-32.67,;6.88,-32.67,;6.11,-34.01,;6.73,-35.42,;5.59,-36.44,;4.25,-35.67,;4.24,-37.09,;2.07,-36.55,;2.08,-34.75,;2.65,-33.47,;2.73,-35,;1.33,-35.76,;1,-37.31,;4.58,-34.17,)| Show InChI InChI=1S/C14H19N5O/c1-10-12(16-5-4-15-10)18-13-17-8-14(20-13)9-19-6-2-11(14)3-7-19/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+4	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; alpha3/beta4 (Homo sapiens (Human))	BDBM50232615 (CHEMBL4091037) Show SMILES Cc1nccnc1NC1=NC[C@@]2(CN3CCC2CC3)O1 |r,wU:11.21,t:9,TLB:19:11:15.14:17.18,THB:10:11:15.14:17.18,(8.41,-30.01,;9.19,-31.34,;10.73,-31.33,;11.5,-32.68,;10.73,-34.01,;9.19,-34.01,;8.42,-32.67,;6.88,-32.67,;6.11,-34.01,;6.73,-35.42,;5.59,-36.44,;4.25,-35.67,;4.24,-37.09,;2.07,-36.55,;2.08,-34.75,;2.65,-33.47,;2.73,-35,;1.33,-35.76,;1,-37.31,;4.58,-34.17,)| Show InChI InChI=1S/C14H19N5O/c1-10-12(16-5-4-15-10)18-13-17-8-14(20-13)9-19-6-2-11(14)3-7-19/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)/t14-/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