BDBM50369150 CHEMBL1788226

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

InChI Key: InChIKey=NUPUDYKEEJNZRG-GFCCVEGCSA-N

Data: 1 IC50  6 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 7 hits for monomerid = 50369150   

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; alpha3/beta4 (Homo sapiens (Human))	BDBM50369150 (CHEMBL1788226) Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C |r| 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-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.80E+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-beta2 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))	BDBM50369150 (CHEMBL1788226) Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C |r| 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-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+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
Acetylcholine receptor (Torpedo californica)	BDBM50369150 (CHEMBL1788226) Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C |r| 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-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.00E+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 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
Acetylcholine receptor (Torpedo californica)	BDBM50369150 (CHEMBL1788226) Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C |r| 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-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+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
Nicotinic acetylcholine receptor alpha2/beta4 (Homo sapiens (Human))	BDBM50369150 (CHEMBL1788226) Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C |r| 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-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem 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 Binding affinity at NAChRs was determined by measuring the displacement of ([3H]Nic) from a preparation of rat cortical membranes.				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))	BDBM50369150 (CHEMBL1788226) Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C |r| 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-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a
SIBIA Neurosciences Inc. Curated by PDSP Ki Database					Assay Description Binding affinity at NAChRs was determined by measuring the displacement of ([3H]Nic) from a preparation of rat cortical membranes.				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)	BDBM50369150 (CHEMBL1788226) Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C |r| 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-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+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 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