Compile Data Set for Download or QSAR

Found 7 hits of ki for monomerid = 50006615   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha2beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	678	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-4 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	838	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha2beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair