BindingDB PrimarySearch

BDBM50428086 CHEMBL2323572::US9303017, (S)-21, YL-1-235

SMILES: Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl

InChI Key: InChIKey=CCEBJZRLEVFTNS-HNNXBMFYSA-N

Data: 10 KI 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50428086
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	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	US Patent	4.70	-10.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	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	US Patent	5.30	-10.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	8.60	-10.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	300	-8.27	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.70E+3	-6.88	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4 (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.90E+4	-5.75	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	6.70E+4	-5.29	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysis				J Med Chem 56: 3000-11 (2013) Article DOI: 10.1021/jm4000374 BindingDB Entry DOI: 10.7270/Q21Z45R1
Georgetown University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	8.60E+4	-5.15	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	9.20E+4	-5.11	n/a	n/a	n/a	n/a	n/a	7.4	4
Georgetown University; Duke University US Patent					Assay Description Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University; Duke University US Patent					Assay Description IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University; Duke University US Patent					Assay Description IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	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	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University; Duke University US Patent					Assay Description IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	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	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...				J Med Chem 56: 3000-11 (2013) Article DOI: 10.1021/jm4000374 BindingDB Entry DOI: 10.7270/Q21Z45R1
Georgetown University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50428086 (CHEMBL2323572 \| US9303017, (S)-21, YL-1-235) Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl \|r\| Show InChI	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	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University; Duke University US Patent					Assay Description IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...				US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF
Georgetown University; Duke University US Patent					More data for this Ligand-Target Pair