Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'bergmeier' and Initial = 's'   

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-10 (Rattus norvegicus)	BDBM50366779 (METHYLLYCACONITINE) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Binding affinity towards alpha3-beta4 neuronal nicotinic acetylcholine receptor				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]N-propylnorapomorphine as radioligand for Dopamine receptor D2 in rat striatal membranes				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7262 (14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK-3beta incubated with substrate in presence of ATP measured by serial dilution assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116179 BindingDB Entry DOI: 10.7270/Q2H70KMS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7262 (14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK-3beta preincubated for 3 hrs followed by ATP and substrate addition measured by serial dilution assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116179 BindingDB Entry DOI: 10.7270/Q2H70KMS
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50369323 (MECAMYLAMINE) Show SMILES CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C |r| Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Inhibitory activity against nicotinic acetylcholine receptor alpha3-beta4				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50571206 (CHEMBL4861930) Show SMILES OC1(CSC(=S)N1Cc1ccncc1)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK-3beta preincubated for 3 hrs followed by ATP and substrate addition measured by serial dilution assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116179 BindingDB Entry DOI: 10.7270/Q2H70KMS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50166940 (NP-031112 | NP-12 | Tideglusib | US20230414581, Co...) Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK-3beta preincubated for 3 hrs followed by ATP and substrate addition measured by serial dilution assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116179 BindingDB Entry DOI: 10.7270/Q2H70KMS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81924 ((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...) Show SMILES CCCN1CCCC(C1)c1cccc(O)c1 Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81924 ((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...) Show SMILES CCCN1CCCC(C1)c1cccc(O)c1 Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010580 (4-(1-Allyl-1,2,5,6-tetrahydro-pyridin-3-yl)-thiazo...) Show SMILES Nc1nc(cs1)C1=CCCN(CC=C)C1 |t:7| Show InChI InChI=1S/C11H15N3S/c1-2-5-14-6-3-4-9(7-14)10-8-15-11(12)13-10/h2,4,8H,1,3,5-7H2,(H2,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50571206 (CHEMBL4861930) Show SMILES OC1(CSC(=S)N1Cc1ccncc1)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK-3beta incubated with substrate in presence of ATP measured by serial dilution assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116179 BindingDB Entry DOI: 10.7270/Q2H70KMS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50571206 (CHEMBL4861930) Show SMILES OC1(CSC(=S)N1Cc1ccncc1)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human wild type GSK-3beta incubated with substrate in presence of ATP measured by serial dilution assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116179 BindingDB Entry DOI: 10.7270/Q2H70KMS
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SCH-23390 to Dopamine receptor D1 was determined				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010573 (4-(1-Ethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-thiazo...) Show SMILES CCN1CCC=C(C1)c1csc(N)n1 |c:5| Show InChI InChI=1S/C10H15N3S/c1-2-13-5-3-4-8(6-13)9-7-14-10(11)12-9/h4,7H,2-3,5-6H2,1H3,(H2,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	411	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010580 (4-(1-Allyl-1,2,5,6-tetrahydro-pyridin-3-yl)-thiazo...) Show SMILES Nc1nc(cs1)C1=CCCN(CC=C)C1 |t:7| Show InChI InChI=1S/C11H15N3S/c1-2-5-14-6-3-4-9(7-14)10-8-15-11(12)13-10/h2,4,8H,1,3,5-7H2,(H2,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81924 ((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...) Show SMILES CCCN1CCCC(C1)c1cccc(O)c1 Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007573 (4-(1-Propyl-1,2,5,6-tetrahydro-pyridin-3-yl)-thiaz...) Show SMILES CCCN1CCC=C(C1)c1csc(N)n1 |c:6| Show InChI InChI=1S/C11H17N3S/c1-2-5-14-6-3-4-9(7-14)10-8-15-11(12)13-10/h4,8H,2-3,5-7H2,1H3,(H2,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	596	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50129131 (CHEBI:83275 | Hypothemycin | US10434085, Compound ...) Show SMILES [H][C@@]12C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC(=O)c3c(O)cc(OC)cc3[C@@]1([H])O2 |r,c:9| Show InChI InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/b5-3-/t9-,14-,15+,17+,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	663	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK-3beta preincubated for 3 hrs followed by ATP and substrate addition measured by serial dilution assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116179 BindingDB Entry DOI: 10.7270/Q2H70KMS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367946 (CHEMBL1203001) Show SMILES Nc1nc(cs1)C1=CCCN(CCc2ccccc2)C1 |t:7| Show InChI InChI=1S/C16H19N3S/c17-16-18-15(12-20-16)14-7-4-9-19(11-14)10-8-13-5-2-1-3-6-13/h1-3,5-7,12H,4,8-11H2,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	911	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM81924 ((R)-3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP(+/-)...) Show SMILES CCCN1CCCC(C1)c1cccc(O)c1 Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010573 (4-(1-Ethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-thiazo...) Show SMILES CCN1CCC=C(C1)c1csc(N)n1 |c:5| Show InChI InChI=1S/C10H15N3S/c1-2-13-5-3-4-8(6-13)9-7-14-10(11)12-9/h4,7H,2-3,5-6H2,1H3,(H2,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	945	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007573 (4-(1-Propyl-1,2,5,6-tetrahydro-pyridin-3-yl)-thiaz...) Show SMILES CCCN1CCC=C(C1)c1csc(N)n1 |c:6| Show InChI InChI=1S/C11H17N3S/c1-2-5-14-6-3-4-9(7-14)10-8-15-11(12)13-10/h4,8H,2-3,5-7H2,1H3,(H2,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	958	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010571 (CHEMBL108682 | Methyl-[4-(1-propyl-1,2,5,6-tetrahy...) Show SMILES CCCN1CCC=C(C1)c1csc(NC)n1 |c:6| Show InChI InChI=1S/C12H19N3S/c1-3-6-15-7-4-5-10(8-15)11-9-16-12(13-2)14-11/h5,9H,3-4,6-8H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (25% inhibition at 10 e-6 M)				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010575 (5-(1-Propyl-1,2,5,6-tetrahydro-pyridin-3-yl)-3H-1l...) Show SMILES CCCN1CCC=C(C1)c1cnc(N)s1 |c:6| Show InChI InChI=1S/C11H17N3S/c1-2-5-14-6-3-4-9(8-14)10-7-13-11(12)15-10/h4,7H,2-3,5-6,8H2,1H3,(H2,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (2% inhibition at 10 e-6 M)				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367941 (CHEMBL1203003) Show SMILES CCCCCCN1CCC=C(C1)c1csc(N)n1 |c:9| Show InChI InChI=1S/C14H23N3S/c1-2-3-4-5-8-17-9-6-7-12(10-17)13-11-18-14(15)16-13/h7,11H,2-6,8-10H2,1H3,(H2,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (36%inhibition at 10 e-6 M)				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50010571 (CHEMBL108682 | Methyl-[4-(1-propyl-1,2,5,6-tetrahy...) Show SMILES CCCN1CCC=C(C1)c1csc(NC)n1 |c:6| Show InChI InChI=1S/C12H19N3S/c1-3-6-15-7-4-5-10(8-15)11-9-16-12(13-2)14-11/h5,9H,3-4,6-8H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367938 (CHEMBL1203009) Show SMILES CCCN1CCCC(C1)c1csc(N)n1 Show InChI InChI=1S/C11H19N3S/c1-2-5-14-6-3-4-9(7-14)10-8-15-11(12)13-10/h8-9H,2-7H2,1H3,(H2,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (15% inhibition at 10 e-6 M)				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367947 (CHEMBL1203005) Show SMILES CCCCN1CCC=C(C1)c1csc(NC)n1 |c:7| Show InChI InChI=1S/C13H21N3S/c1-3-4-7-16-8-5-6-11(9-16)12-10-17-13(14-2)15-12/h6,10H,3-5,7-9H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (25% inhibition at 10 e-6 M)				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367942 (CHEMBL1203006) Show SMILES CCCN1CCC=C(C1)c1csc(C)n1 |c:6| Show InChI InChI=1S/C12H18N2S/c1-3-6-14-7-4-5-11(8-14)12-9-15-10(2)13-12/h5,9H,3-4,6-8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes. (41% inhibition at 10 e-6 M)				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367945 (CHEMBL1203008) Show SMILES CN1CCC=C(C1)c1csc(N)n1 |c:4| Show InChI InChI=1S/C9H13N3S/c1-12-4-2-3-7(5-12)8-6-13-9(10)11-8/h3,6H,2,4-5H2,1H3,(H2,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367946 (CHEMBL1203001) Show SMILES Nc1nc(cs1)C1=CCCN(CCc2ccccc2)C1 |t:7| Show InChI InChI=1S/C16H19N3S/c17-16-18-15(12-20-16)14-7-4-9-19(11-14)10-8-13-5-2-1-3-6-13/h1-3,5-7,12H,4,8-11H2,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50451971 (CHEMBL330867) Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)CC(C2CCCC2)C1=O Show InChI InChI=1S/C31H38N2O4/c34-29-20-27(25-14-4-5-15-25)30(35)33(29)28-17-7-6-16-26(28)31(36)37-22-24-13-9-19-32(21-24)18-8-12-23-10-2-1-3-11-23/h1-3,6-7,10-11,16-17,24-25,27H,4-5,8-9,12-15,18-22H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50451972 (CHEMBL125960) Show SMILES CCCCCCCCC1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C34H46N2O4/c1-2-3-4-5-6-10-19-29-24-32(37)36(33(29)38)31-21-12-11-20-30(31)34(39)40-26-28-18-14-23-35(25-28)22-13-17-27-15-8-7-9-16-27/h7-9,11-12,15-16,20-21,28-29H,2-6,10,13-14,17-19,22-26H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50451974 (CHEMBL340342) Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)CC(Cc2ccccc2)C1=O Show InChI InChI=1S/C33H36N2O4/c36-31-22-28(21-26-13-5-2-6-14-26)32(37)35(31)30-18-8-7-17-29(30)33(38)39-24-27-16-10-20-34(23-27)19-9-15-25-11-3-1-4-12-25/h1-8,11-14,17-18,27-28H,9-10,15-16,19-24H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50149051 (2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-benzoic ac...) Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C30H30N2O4/c33-28-24-14-4-5-15-25(24)29(34)32(28)27-17-7-6-16-26(27)30(35)36-21-23-13-9-19-31(20-23)18-8-12-22-10-2-1-3-11-22/h1-7,10-11,14-17,23H,8-9,12-13,18-21H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50451977 (CHEMBL122505) Show SMILES CCCCC1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C30H38N2O4/c1-2-3-15-25-20-28(33)32(29(25)34)27-17-8-7-16-26(27)30(35)36-22-24-14-10-19-31(21-24)18-9-13-23-11-5-4-6-12-23/h4-8,11-12,16-17,24-25H,2-3,9-10,13-15,18-22H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419792 (CHEMBL1950609) Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCCCOc2ccccc2)C1 |(4.97,6.4,;4.07,5.16,;2.54,5.16,;2.07,3.7,;.53,3.71,;3.31,2.8,;4.55,3.7,;6.01,3.23,;3.31,1.27,;4.64,.5,;4.64,-1.04,;3.3,-1.81,;1.97,-1.04,;1.98,.51,;.65,1.28,;.65,2.82,;-.69,.51,;-2.02,1.29,;-3.35,.52,;-4.68,1.3,;-6.01,.52,;-6.01,-1.02,;-4.68,-1.78,;-4.68,-3.32,;-3.35,-4.09,;-2.02,-3.32,;-.68,-4.09,;.65,-3.32,;1.99,-4.09,;1.98,-5.63,;3.31,-6.4,;4.65,-5.63,;4.64,-4.08,;3.31,-3.32,;-3.35,-1.02,)| Show InChI InChI=1S/C28H34N2O5/c1-21-18-26(31)30(27(21)32)25-14-6-5-13-24(25)28(33)35-20-22-10-9-16-29(19-22)15-7-8-17-34-23-11-3-2-4-12-23/h2-6,11-14,18,22,31-32H,7-10,15-17,19-20H2,1H3	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	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50149040 (Biphenyl-2-carboxylic acid 1-(3-phenyl-propyl)-pip...) Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C28H31NO2/c30-28(27-18-8-7-17-26(27)25-15-5-2-6-16-25)31-22-24-14-10-20-29(21-24)19-9-13-23-11-3-1-4-12-23/h1-8,11-12,15-18,24H,9-10,13-14,19-22H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50451973 (CHEMBL332769) Show SMILES C=CCC1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C29H34N2O4/c1-2-10-24-19-27(32)31(28(24)33)26-16-7-6-15-25(26)29(34)35-21-23-14-9-18-30(20-23)17-8-13-22-11-4-3-5-12-22/h2-7,11-12,15-16,23-24H,1,8-10,13-14,17-21H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50166940 (NP-031112 | NP-12 | Tideglusib | US20230414581, Co...) Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GSK-3beta incubated with substrate in presence of ATP measured by serial dilution assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116179 BindingDB Entry DOI: 10.7270/Q2H70KMS
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367943 (CHEMBL1202201) Show SMILES CCCCCN1CCC=C(C1)c1csc(N)n1 |c:8| Show InChI InChI=1S/C13H21N3S/c1-2-3-4-7-16-8-5-6-11(9-16)12-10-17-13(14)15-12/h6,10H,2-5,7-9H2,1H3,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50366799 (TUBOCURARINE | TUBOCURARINE CHLORIDE) Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 |r| Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367940 (CHEMBL1203007) Show SMILES CCCCN1CCC=C(C1)c1csc(N)n1 |c:7| Show InChI InChI=1S/C12H19N3S/c1-2-3-6-15-7-4-5-10(8-15)11-9-16-12(13)14-11/h5,9H,2-4,6-8H2,1H3,(H2,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367944 (CHEMBL1203004) Show SMILES CCCCCCCN1CCC=C(C1)c1csc(N)n1 |c:10| Show InChI InChI=1S/C15H25N3S/c1-2-3-4-5-6-9-18-10-7-8-13(11-18)14-12-19-15(16)17-14/h8,12H,2-7,9-11H2,1H3,(H2,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419827 (CHEMBL1950506) Show SMILES C[N+]1(C)CCCC(COC(=O)c2ccccc2-c2ccccc2)C1 Show InChI InChI=1S/C21H26NO2/c1-22(2)14-8-9-17(15-22)16-24-21(23)20-13-7-6-12-19(20)18-10-4-3-5-11-18/h3-7,10-13,17H,8-9,14-16H2,1-2H3/q+1	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	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50451978 (CHEMBL334123) Show SMILES CC(C)C1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C29H36N2O4/c1-21(2)25-18-27(32)31(28(25)33)26-15-7-6-14-24(26)29(34)35-20-23-13-9-17-30(19-23)16-8-12-22-10-4-3-5-11-22/h3-7,10-11,14-15,21,23,25H,8-9,12-13,16-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50366779 (METHYLLYCACONITINE) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50367939 (CHEMBL1203002) Show SMILES CC(C)CCN1CCC=C(C1)c1csc(N)n1 |c:8| Show InChI InChI=1S/C13H21N3S/c1-10(2)5-7-16-6-3-4-11(8-16)12-9-17-13(14)15-12/h4,9-10H,3,5-8H2,1-2H3,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [3H]haloperidol binding for Dopamine receptor D2 in rat striatal membranes.				J Med Chem 33: 311-7 (1990) BindingDB Entry DOI: 10.7270/Q28S4QHZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419851 (CHEMBL1950510) Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1-n1cc(nn1)-c1ccccc1 Show InChI InChI=1S/C30H32N4O2/c35-30(36-23-25-14-10-20-33(21-25)19-9-13-24-11-3-1-4-12-24)27-17-7-8-18-29(27)34-22-28(31-32-34)26-15-5-2-6-16-26/h1-8,11-12,15-18,22,25H,9-10,13-14,19-21,23H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair

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