BDBM50270394 CHEMBL4061094

SMILES: [I-].CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1

InChI Key: InChIKey=BWZCFPOGHNHOCC-UHFFFAOYSA-M

Data: 3 KI  3 IC50  1 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 = 50270394   

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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50270394 (CHEMBL4061094) Show SMILES [I-].CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C15H24NO2.HI/c1-5-7-16(2)8-6-12-9-14(17-3)15(18-4)10-13(12)11-16;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50270394 (CHEMBL4061094) Show SMILES [I-].CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C15H24NO2.HI/c1-5-7-16(2)8-6-12-9-14(17-3)15(18-4)10-13(12)11-16;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat))	BDBM50270394 (CHEMBL4061094) Show SMILES [I-].CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C15H24NO2.HI/c1-5-7-16(2)8-6-12-9-14(17-3)15(18-4)10-13(12)11-16;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50270394 (CHEMBL4061094) Show SMILES [I-].CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C15H24NO2.HI/c1-5-7-16(2)8-6-12-9-14(17-3)15(18-4)10-13(12)11-16;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up to...				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-4/beta-2 (Mus musculus)	BDBM50270394 (CHEMBL4061094) Show SMILES [I-].CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C15H24NO2.HI/c1-5-7-16(2)8-6-12-9-14(17-3)15(18-4)10-13(12)11-16;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50270394 (CHEMBL4061094) Show SMILES [I-].CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C15H24NO2.HI/c1-5-7-16(2)8-6-12-9-14(17-3)15(18-4)10-13(12)11-16;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in HEK293 cells co-expressing Ric-3/NACHO assessed as induction of calcium mobilization measured up ...				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50270394 (CHEMBL4061094) Show SMILES [I-].CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C15H24NO2.HI/c1-5-7-16(2)8-6-12-9-14(17-3)15(18-4)10-13(12)11-16;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in HEK293 cells co-expressing Ric-3/NACHO assessed as inhibition of ACh-induced calcium mobilizat...				J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB
					More data for this Ligand-Target Pair