Compile Data Set for Download or QSAR

Found 3432 hits with Last Name = 'lv' and Initial = 'w'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322239 (1-(Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidi...) Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1 Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322240 (1-(Benzofuran-3-ylmethyl)-4-(4-bromophenyl)piperid...) Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Histone deacetylase 6 [440-798] (Danio rerio)	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.600	-52.6	1.10	n/a	n/a	n/a	n/a	n/a	25
University of Pennsylvania,					Assay Description The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...				Nat Chem Biol 12: 741-747 (2016) Article DOI: 10.1038/nchembio.2134 BindingDB Entry DOI: 10.7270/Q2TH8KH1
					More data for this Ligand-Target Pair
Histone deacetylase 6 [440-798] (Danio rerio)	BDBM198120 (TSA) Show SMILES CC(\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	-51.9	1.40	n/a	n/a	n/a	n/a	n/a	25
University of Pennsylvania,					Assay Description The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...				Nat Chem Biol 12: 741-747 (2016) Article DOI: 10.1038/nchembio.2134 BindingDB Entry DOI: 10.7270/Q2TH8KH1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322229 (4-(4-Iodophenyl)-1-((4-methoxy-1H-indol-3-yl)methy...) Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12 Show InChI InChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50322233 (8-(Benzofuran-3-ylmethyl)-3-((1-(2-fluoroethyl)-1H...) Show SMILES FCCn1cc(CN2CN(c3ccccc3)C3(CCN(Cc4coc5ccccc45)CC3)C2=O)nn1 Show InChI InChI=1S/C27H29FN6O2/c28-12-15-33-18-22(29-30-33)17-32-20-34(23-6-2-1-3-7-23)27(26(32)35)10-13-31(14-11-27)16-21-19-36-25-9-5-4-8-24(21)25/h1-9,18-19H,10-17,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322252 (4-(4-Iodophenyl)-1-((5-methoxy-1H-indol-3-yl)methy...) Show SMILES COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c2c1 Show InChI InChI=1S/C21H23IN2O2/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16/h2-7,12-13,23,25H,8-11,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Histone deacetylase 6 [440-798] (Danio rerio)	BDBM198121 (HPOB) Show SMILES OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1	-51.4	1.80	n/a	n/a	n/a	n/a	n/a	25
University of Pennsylvania,					Assay Description The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...				Nat Chem Biol 12: 741-747 (2016) Article DOI: 10.1038/nchembio.2134 BindingDB Entry DOI: 10.7270/Q2TH8KH1
					More data for this Ligand-Target Pair
Histone deacetylase 6 [440-798] (Danio rerio)	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	-51.1	1.90	n/a	n/a	n/a	n/a	n/a	25
University of Pennsylvania,					Assay Description The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...				Nat Chem Biol 12: 741-747 (2016) Article DOI: 10.1038/nchembio.2134 BindingDB Entry DOI: 10.7270/Q2TH8KH1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50034090 (CHEMBL3359239) Show SMILES Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2N3O/c1-14-17(21)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(20)9-7-15/h6-9H,2-5,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Northwestern University Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...				Bioorg Med Chem 27: 1824-1835 (2019) Article DOI: 10.1016/j.bmc.2019.03.030 BindingDB Entry DOI: 10.7270/Q21839XN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322245 (1-((1H-Pyrrolo[2,3-b]pyridine-3-yl)methyl)-4-(4-io...) Show SMILES OC1(CCN(Cc2c[nH]c3ncccc23)CC1)c1ccc(I)cc1 Show InChI InChI=1S/C19H20IN3O/c20-16-5-3-15(4-6-16)19(24)7-10-23(11-8-19)13-14-12-22-18-17(14)2-1-9-21-18/h1-6,9,12,24H,7-8,10-11,13H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Histone deacetylase 6 [440-798] (Danio rerio)	BDBM198124 (Panobinostat) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1 |w:18.19| Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	1.40	-50.5	2.5	n/a	n/a	n/a	n/a	n/a	25
University of Pennsylvania,					Assay Description The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...				Nat Chem Biol 12: 741-747 (2016) Article DOI: 10.1038/nchembio.2134 BindingDB Entry DOI: 10.7270/Q2TH8KH1
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322242 (1-(Benzofuran-2-ylmethyl)-4-(4-iodophenyl)piperidi...) Show SMILES OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(I)cc1 Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)14-18-13-15-3-1-2-4-19(15)24-18/h1-8,13,23H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322233 (8-(Benzofuran-3-ylmethyl)-3-((1-(2-fluoroethyl)-1H...) Show SMILES FCCn1cc(CN2CN(c3ccccc3)C3(CCN(Cc4coc5ccccc45)CC3)C2=O)nn1 Show InChI InChI=1S/C27H29FN6O2/c28-12-15-33-18-22(29-30-33)17-32-20-34(23-6-2-1-3-7-23)27(26(32)35)10-13-31(14-11-27)16-21-19-36-25-9-5-4-8-24(21)25/h1-9,18-19H,10-17,20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322230 (1-((1H-Indol-3-yl)methyl)-4-(4-iodophenyl)piperidi...) Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(I)cc1 Show InChI InChI=1S/C20H21IN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50322236 (8-(Benzofuran-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-...) Show SMILES CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O Show InChI InChI=1S/C23H25N3O2/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322241 (1-(Benzo[b]thiophen-2-ylmethyl)-4-(4-bromophenyl)-...) Show SMILES OC1(CCN(Cc2cc3ccccc3s2)CC1)c1ccccc1 Show InChI InChI=1S/C20H21NOS/c22-20(17-7-2-1-3-8-17)10-12-21(13-11-20)15-18-14-16-6-4-5-9-19(16)23-18/h1-9,14,22H,10-13,15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Histone deacetylase 6 [84-835] (Homo sapiens (Human))	BDBM198120 (TSA) Show SMILES CC(\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	-49.4	3.90	n/a	n/a	n/a	n/a	n/a	25
University of Pennsylvania,					Assay Description The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...				Nat Chem Biol 12: 741-747 (2016) Article DOI: 10.1038/nchembio.2134 BindingDB Entry DOI: 10.7270/Q2TH8KH1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322254 (4-(4-bromophenyl)-1-((4-methoxy-1H-indol-3-yl)meth...) Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c12 Show InChI InChI=1S/C21H23BrN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322239 (1-(Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidi...) Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1 Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322243 (1-(Benzofuran-2-ylmethyl)-4-(4-bromophenyl)piperid...) Show SMILES OC1(CCN(Cc2cc3ccccc3o2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)14-18-13-15-3-1-2-4-19(15)24-18/h1-8,13,23H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322253 (4-(4-bromophenyl)-1-((5-methoxy-1H-indol-3-yl)meth...) Show SMILES COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Br)cc3)c2c1 Show InChI InChI=1S/C21H23BrN2O2/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16/h2-7,12-13,23,25H,8-11,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309834 ((S)-1,3'-bipyrrolidin-1'-yl(4-((7-chloro-1H-indol-...) Show SMILES Clc1cccc2ccn(Cc3ccc(cc3)C(=O)N3CC[C@@H](C3)N3CCCC3)c12 |r| Show InChI InChI=1S/C24H26ClN3O/c25-22-5-3-4-19-10-14-27(23(19)22)16-18-6-8-20(9-7-18)24(29)28-15-11-21(17-28)26-12-1-2-13-26/h3-10,14,21H,1-2,11-13,15-17H2/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309848 ((R)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50322238 (1-(1-(Benzofuran-3-ylmethyl)piperidin-4-yl)-1Hbenz...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2coc3ccccc23)CC1 Show InChI InChI=1S/C21H21N3O2/c25-21-22-18-6-2-3-7-19(18)24(21)16-9-11-23(12-10-16)13-15-14-26-20-8-4-1-5-17(15)20/h1-8,14,16H,9-13H2,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50035131 ((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...) Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...				Bioorg Med Chem 27: 1824-1835 (2019) Article DOI: 10.1016/j.bmc.2019.03.030 BindingDB Entry DOI: 10.7270/Q21839XN
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322230 (1-((1H-Indol-3-yl)methyl)-4-(4-iodophenyl)piperidi...) Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(I)cc1 Show InChI InChI=1S/C20H21IN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50400738 (CHEMBL2203551) Show SMILES C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
Northwestern University Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...				Bioorg Med Chem 27: 1824-1835 (2019) Article DOI: 10.1016/j.bmc.2019.03.030 BindingDB Entry DOI: 10.7270/Q21839XN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322232 (4-(4-chlorophenyl)-1-((4-methoxy-1H-indol-3-yl)met...) Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c12 Show InChI InChI=1S/C21H23ClN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322231 (4-(4-chlorophenyl)-1-((5-methoxy-1H-indol-3-yl)met...) Show SMILES COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C21H23ClN2O2/c1-26-18-6-7-20-19(12-18)15(13-23-20)14-24-10-8-21(25,9-11-24)16-2-4-17(22)5-3-16/h2-7,12-13,23,25H,8-11,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Histone deacetylase 6 [440-798] (Danio rerio)	BDBM50123957 ((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...) Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	-47.8	7.5	n/a	n/a	n/a	n/a	n/a	25
University of Pennsylvania,					Assay Description The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...				Nat Chem Biol 12: 741-747 (2016) Article DOI: 10.1038/nchembio.2134 BindingDB Entry DOI: 10.7270/Q2TH8KH1
					More data for this Ligand-Target Pair
Histone deacetylase 6 [60-420] (Danio rerio)	BDBM198120 (TSA) Show SMILES CC(\C=C\C(=O)NO)\C=C(/C)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	-47.5	7	n/a	n/a	n/a	n/a	n/a	25
University of Pennsylvania,					Assay Description The fluorescence anisotropy assay was performed with fluorescein-labeled SAHA (fl-SAHA, gift of C. Fierke, University of Michigan) and measured using...				Nat Chem Biol 12: 741-747 (2016) Article DOI: 10.1038/nchembio.2134 BindingDB Entry DOI: 10.7270/Q2TH8KH1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322255 (1-((1H-indol-3-yl)methyl)-4-(4-bromophenyl)piperid...) Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C20H21BrN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309847 ((S)-1,3'-bipyrrolidin-1'-yl(4-((2-methyl-1H-benzo[...) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C24H28N4O/c1-18-25-22-6-2-3-7-23(22)28(18)16-19-8-10-20(11-9-19)24(29)27-15-12-21(17-27)26-13-4-5-14-26/h2-3,6-11,21H,4-5,12-17H2,1H3/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322240 (1-(Benzofuran-3-ylmethyl)-4-(4-bromophenyl)piperid...) Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillat...				Bioorg Med Chem 27: 1824-1835 (2019) Article DOI: 10.1016/j.bmc.2019.03.030 BindingDB Entry DOI: 10.7270/Q21839XN
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322236 (8-(Benzofuran-3-ylmethyl)-3-methyl-1-phenyl-1,3,8-...) Show SMILES CN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O Show InChI InChI=1S/C23H25N3O2/c1-24-17-26(19-7-3-2-4-8-19)23(22(24)27)11-13-25(14-12-23)15-18-16-28-21-10-6-5-9-20(18)21/h2-10,16H,11-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50102258 ((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity PSMA (unknown origin)				J Med Chem 58: 3094-103 (2015) Article DOI: 10.1021/jm5018384 BindingDB Entry DOI: 10.7270/Q2MG7R6G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322235 (8-(Benzofuran-3-ylmethyl)-3-(2-fluoroethyl)-1-phen...) Show SMILES FCCN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O Show InChI InChI=1S/C24H26FN3O2/c25-12-15-27-18-28(20-6-2-1-3-7-20)24(23(27)29)10-13-26(14-11-24)16-19-17-30-22-9-5-4-8-21(19)22/h1-9,17H,10-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322244 (1-((1H-Pyrrolo[2,3-b]pyridine-3-yl)methyl)-4-(4-(m...) Show SMILES CSc1ccc(cc1)C1(O)CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C20H23N3OS/c1-25-17-6-4-16(5-7-17)20(24)8-11-23(12-9-20)14-15-13-22-19-18(15)3-2-10-21-19/h2-7,10,13,24H,8-9,11-12,14H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50322235 (8-(Benzofuran-3-ylmethyl)-3-(2-fluoroethyl)-1-phen...) Show SMILES FCCN1CN(c2ccccc2)C2(CCN(Cc3coc4ccccc34)CC2)C1=O Show InChI InChI=1S/C24H26FN3O2/c25-12-15-27-18-28(20-6-2-1-3-7-20)24(23(27)29)10-13-26(14-11-24)16-19-17-30-22-9-5-4-8-21(19)22/h1-9,17H,10-16,18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309837 (1,3'-bipyrrolidin-1'-yl(4-((2-phenyl-1H-benzo[d]im...) Show SMILES O=C(N1CCC(C1)N1CCCC1)c1ccc(Cn2c(nc3ccccc23)-c2ccccc2)cc1 Show InChI InChI=1S/C29H30N4O/c34-29(32-19-16-25(21-32)31-17-6-7-18-31)24-14-12-22(13-15-24)20-33-27-11-5-4-10-26(27)30-28(33)23-8-2-1-3-9-23/h1-5,8-15,25H,6-7,16-21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50050467 (1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...) Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50309845 ((S)-1,3'-bipyrrolidin-1'-yl(4-((1H-benzo[d]imidazo...) Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1)c1ccc(Cn2cnc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H26N4O/c28-23(26-14-11-20(16-26)25-12-3-4-13-25)19-9-7-18(8-10-19)15-27-17-24-21-5-1-2-6-22(21)27/h1-2,5-10,17,20H,3-4,11-16H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human cloned histamine H3 receptor expressed in HEK293T cells by liquid scintillation spectrometry				Bioorg Med Chem Lett 20: 1237-40 (2010) Article DOI: 10.1016/j.bmcl.2009.11.122 BindingDB Entry DOI: 10.7270/Q2028RNZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50322240 (1-(Benzofuran-3-ylmethyl)-4-(4-bromophenyl)piperid...) Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C20H20BrNO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50322239 (1-(Benzofuran-3-ylmethyl)-4-(4-iodophenyl)piperidi...) Show SMILES OC1(CCN(Cc2coc3ccccc23)CC1)c1ccc(I)cc1 Show InChI InChI=1S/C20H20INO2/c21-17-7-5-16(6-8-17)20(23)9-11-22(12-10-20)13-15-14-24-19-4-2-1-3-18(15)19/h1-8,14,23H,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50322255 (1-((1H-indol-3-yl)methyl)-4-(4-bromophenyl)piperid...) Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C20H21BrN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322247 (1-(1-((5-Methoxy-1H-indol-3-yl)methyl)piperidin-4-...) Show SMILES COc1ccc2[nH]cc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)c2c1 Show InChI InChI=1S/C22H24N4O2/c1-28-17-6-7-19-18(12-17)15(13-23-19)14-25-10-8-16(9-11-25)26-21-5-3-2-4-20(21)24-22(26)27/h2-7,12-13,16,23H,8-11,14H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting				Bioorg Med Chem 18: 5291-300 (2010) Article DOI: 10.1016/j.bmc.2010.05.052 BindingDB Entry DOI: 10.7270/Q298880H
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 3432 total )  |  Next  |  Last  >>

Jump to: