Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'holt' and Initial = 'dp'   

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-2 (Rattus norvegicus (Rat))	BDBM50295955 (5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...) Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r| Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00560	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 rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295954 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r| Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	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 rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0250	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 rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295955 (5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...) Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r| Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0280	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 rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295959 ((S)-2-chloro-5-((1-methylpyrrolidin-2-yl)methoxy)-...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(\C=C\c2ccncc2)c1 |r| Show InChI InChI=1S/C18H20ClN3O/c1-22-10-2-3-16(22)13-23-17-11-15(18(19)21-12-17)5-4-14-6-8-20-9-7-14/h4-9,11-12,16H,2-3,10,13H2,1H3/b5-4+/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0280	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]5-A-85380 from alpha4beta2 nicotinic receptor in rat brain				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295956 (2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0310	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 rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0350	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 rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0350	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 rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50295955 (5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...) Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r| Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0410	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 rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295958 ((S)-2-chloro-2'-fluoro-5-((1-methylpyrrolidin-2-yl...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(c1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C16H17ClFN3O/c1-21-6-2-3-12(21)10-22-13-8-14(16(17)20-9-13)11-4-5-19-15(18)7-11/h4-5,7-9,12H,2-3,6,10H2,1H3/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	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 rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295956 (2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0550	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 rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0610	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 rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295958 ((S)-2-chloro-2'-fluoro-5-((1-methylpyrrolidin-2-yl...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(c1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C16H17ClFN3O/c1-21-6-2-3-12(21)10-22-13-8-14(16(17)20-9-13)11-4-5-19-15(18)7-11/h4-5,7-9,12H,2-3,6,10H2,1H3/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0620	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 rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295954 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r| Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0620	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 rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0950	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 rat alpha2beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	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 rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	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 rat alpha4beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	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 rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50295956 (2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	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 rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50295954 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r| Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	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 rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295955 (5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...) Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r| Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	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 rat alpha4beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.570	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 rat alpha3beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50295958 ((S)-2-chloro-2'-fluoro-5-((1-methylpyrrolidin-2-yl...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(c1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C16H17ClFN3O/c1-21-6-2-3-12(21)10-22-13-8-14(16(17)20-9-13)11-4-5-19-15(18)7-11/h4-5,7-9,12H,2-3,6,10H2,1H3/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	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 rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50295957 (2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	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 rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295957 (2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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 rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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 rat alpha4beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50066788 ((S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine | 3-...) Show SMILES Fc1ncccc1OC[C@@H]1CCN1 Show InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50066788 ((S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine | 3-...) Show SMILES Fc1ncccc1OC[C@@H]1CCN1 Show InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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 rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295957 (2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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 rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295954 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r| Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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 rat alpha4beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129794 (CHEMBL328660 | [4-(6-Bromo-benzothiazol-2-yl)-phen...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(Br)cc2s1 Show InChI InChI=1S/C14H11BrN2S/c1-16-11-5-2-9(3-6-11)14-17-12-7-4-10(15)8-13(12)18-14/h2-8,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129784 (4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylanil...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C16H16N2OS/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19-3)10-15(14)20-16/h4-10H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50100133 (CHEMBL55401 | [4-(6-Bromo-benzothiazol-2-yl)-pheny...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(Br)cc2s1 Show InChI InChI=1S/C15H13BrN2S/c1-18(2)12-6-3-10(4-7-12)15-17-13-8-5-11(16)9-14(13)19-15/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat))	BDBM50066788 ((S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine | 3-...) Show SMILES Fc1ncccc1OC[C@@H]1CCN1 Show InChI InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2/t7-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129791 ((4-Benzothiazol-2-yl-phenyl)-dimethyl-amine | 4-(B...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2s1 Show InChI InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295955 (5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...) Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r| Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	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 rat alpha2beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129792 (2-(4-Dimethylamino-phenyl)-benzothiazol-6-ol | CHE...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C15H14N2OS/c1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h3-9,18H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129786 (CHEMBL94230 | [4-(6-Methoxy-benzothiazol-2-yl)-phe...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(OC)cc2s1 Show InChI InChI=1S/C15H14N2OS/c1-16-11-5-3-10(4-6-11)15-17-13-8-7-12(18-2)9-14(13)19-15/h3-9,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295956 (2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	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 rat alpha4beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50052701 (2-(4-Aminophenyl)-6-methoxybenzothiazole | 4-(6-Me...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(N)cc1 Show InChI InChI=1S/C14H12N2OS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129783 (4-(6-Bromo-benzothiazol-2-yl)-phenylamine | CHEMBL...) Show SMILES Nc1ccc(cc1)-c1nc2ccc(Br)cc2s1 Show InChI InChI=1S/C13H9BrN2S/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50295957 (2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	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 rat alpha4beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295953 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...) Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	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 rat alpha2beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129787 (2-(4-Methylamino-phenyl)-benzothiazole-6-carbonitr...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(cc2s1)C#N Show InChI InChI=1S/C15H11N3S/c1-17-12-5-3-11(4-6-12)15-18-13-7-2-10(9-16)8-14(13)19-15/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129788 (2-(4-Aminophenyl)-6-methylbenzothiazole | 4-(6-Met...) Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(N)cc1 Show InChI InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109051 (CHEMBL330529 | Methyl-[4-(6-methyl-benzothiazol-2-...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(C)cc2s1 Show InChI InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	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 rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat))	BDBM50295954 (2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...) Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r| Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 rat alpha2beta4 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting				Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129785 (2-(4-Dimethylamino-phenyl)-benzothiazole-6-carboni...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccc(cc2s1)C#N Show InChI InChI=1S/C16H13N3S/c1-19(2)13-6-4-12(5-7-13)16-18-14-8-3-11(10-17)9-15(14)20-16/h3-9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair

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