BDBM50052593 3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine::3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-yl)-pyridine::Altinicline::CHEMBL111659::US10667515, Compound (S)-SIB 1508Y

SMILES: CN1CCC[C@H]1c1cncc(c1)C#C

InChI Key: InChIKey=NUPUDYKEEJNZRG-LBPRGKRZSA-N

Data: 1 IC50  13 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 14 hits for monomerid = 50052593   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...				J Med Chem 39: 3235-7 (1996) Article DOI: 10.1021/jm960328w BindingDB Entry DOI: 10.7270/Q2BV7H97
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description The compound was tested on recombinant human alpha-1-beta-1-gamma-delta cell lines of human embryonic kidney for nicotinic acetylcholine receptor ago...				J Med Chem 39: 3235-7 (1996) Article DOI: 10.1021/jm960328w BindingDB Entry DOI: 10.7270/Q2BV7H97
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...				J Med Chem 39: 3235-7 (1996) Article DOI: 10.1021/jm960328w BindingDB Entry DOI: 10.7270/Q2BV7H97
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta4 (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...				J Med Chem 39: 3235-7 (1996) Article DOI: 10.1021/jm960328w BindingDB Entry DOI: 10.7270/Q2BV7H97
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha2/beta4 (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...				J Med Chem 39: 3235-7 (1996) Article DOI: 10.1021/jm960328w BindingDB Entry DOI: 10.7270/Q2BV7H97
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description The compound was tested on recombinant human alpha4-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...				J Med Chem 39: 3235-7 (1996) Article DOI: 10.1021/jm960328w BindingDB Entry DOI: 10.7270/Q2BV7H97
					More data for this Ligand-Target Pair
Resistance to inhibitors of cholinesterase protein 3 (Pig roundworm)	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
Iowa State University Research Foundation, Inc. US Patent					Assay Description Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte...				US Patent US10667515 (2020)
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...				J Med Chem 39: 3235-7 (1996) Article DOI: 10.1021/jm960328w BindingDB Entry DOI: 10.7270/Q2BV7H97
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...				J Med Chem 39: 3235-7 (1996) Article DOI: 10.1021/jm960328w BindingDB Entry DOI: 10.7270/Q2BV7H97
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4 (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Effective concentration against Nicotinic acetylcholine receptor alpha2-beta4				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Effective concentration against Nicotinic acetylcholine receptor alpha 7				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Effective concentration against Nicotinic acetylcholine receptor alpha3-beta2				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Effective concentration against Nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Homo sapiens (Human))	BDBM50052593 (3-Ethynyl-5-((S)-1-methyl-azetidin-2-yl)-pyridine ...) Show SMILES CN1CCC[C@H]1c1cncc(c1)C#C Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description The compound was tested on recombinant human alpha4-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...				J Med Chem 39: 3235-7 (1996) Article DOI: 10.1021/jm960328w BindingDB Entry DOI: 10.7270/Q2BV7H97
					More data for this Ligand-Target Pair