BDBM50465456 CHEMBL4283703

SMILES: Clc1ccc2C3CNC4CCC34Oc2n1

InChI Key: InChIKey=CRXFCGUGNWJSEY-UHFFFAOYSA-N

Data: 3 KI  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 9 hits for monomerid = 50465456   

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))	BDBM50465456 (CHEMBL4283703) Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1 Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK cell membranes after 4 hrs by liquid scintillation counting ...				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50465456 (CHEMBL4283703) Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1 Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha7 nAChR (unknown origin) expressed in HEK cell membranes after 4 hrs by liquid scintillation counting metho...				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50465456 (CHEMBL4283703) Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1 Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK cell membranes after 4 hrs by liquid scintillation counting ...				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat))	BDBM50465456 (CHEMBL4283703) Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1 Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Agonist activity at rat alpha3beta4 nAChR by cell-based rubidium flux assay				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat))	BDBM50465456 (CHEMBL4283703) Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1 Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Agonist activity at rat alpha3beta2 expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50465456 (CHEMBL4283703) Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1 Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50465456 (CHEMBL4283703) Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1 Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Agonist activity at rat alpha4beta2 expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50465456 (CHEMBL4283703) Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1 Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nAChR by cell-based rubidium flux assay				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (RAT)	BDBM50465456 (CHEMBL4283703) Show SMILES Clc1ccc2C3CNC4CCC34Oc2n1 Show InChI InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a
Indiana State University Curated by ChEMBL					Assay Description Agonist activity at rat 5HT3A expressed in Xenopus oocytes at -60 mV holding potential by electrophysiology method				J Nat Prod 81: 1029-1035 (2018) Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0
					More data for this Ligand-Target Pair