Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'dodo' and Initial = 'k'   

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
Androgen receptor (Homo sapiens (Human))	BDBM50253371 (CHEMBL522172 | N4-Isobutyl-6-(2-naphthalen-1-yl-et...) Show SMILES CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C31H32N4/c1-22(2)20-32-30-19-27(18-17-25-13-7-11-23-9-3-5-15-28(23)25)34-31(35-30)33-21-26-14-8-12-24-10-4-6-16-29(24)26/h3-16,19,22H,17-18,20-21H2,1-2H3,(H2,32,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of AR				Bioorg Med Chem Lett 20: 1712-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.079 BindingDB Entry DOI: 10.7270/Q2TM7B76
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50313149 (6-(2-benzylpyridin-4-yl)-3-hydroxy-5-isobutyl-1-(n...) Show SMILES CC(C)Cc1cc(O)c(=O)n(Cc2ccc3ccccc3c2)c1-c1ccnc(Cc2ccccc2)c1 Show InChI InChI=1S/C32H30N2O2/c1-22(2)16-28-20-30(35)32(36)34(21-24-12-13-25-10-6-7-11-26(25)17-24)31(28)27-14-15-33-29(19-27)18-23-8-4-3-5-9-23/h3-15,17,19-20,22,35H,16,18,21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ER				Bioorg Med Chem Lett 20: 1712-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.079 BindingDB Entry DOI: 10.7270/Q2TM7B76
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50313148 (CHEMBL1087884 | N2,N4,6-triisobutylpyrimidine-2,4-...) Show SMILES CC(C)CNc1cc(CC(C)C)nc(NCC(C)C)n1 Show InChI InChI=1S/C16H30N4/c1-11(2)7-14-8-15(17-9-12(3)4)20-16(19-14)18-10-13(5)6/h8,11-13H,7,9-10H2,1-6H3,(H2,17,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of ER				Bioorg Med Chem Lett 20: 1712-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.079 BindingDB Entry DOI: 10.7270/Q2TM7B76
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50313152 ((3R,5S)-5-((R)-2-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)...) Show SMILES C[C@H](C[C@H]1C[C@@](C)(O)C(=O)N1CCc1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C35H49NO4/c1-23(19-28-22-35(4,40)33(39)36(28)18-16-25-9-6-5-7-10-25)30-14-15-31-26(11-8-17-34(30,31)3)12-13-27-20-29(37)21-32(38)24(27)2/h5-7,9-10,12-13,23,28-32,37-38,40H,2,8,11,14-22H2,1,3-4H3/b26-12+,27-13-/t23-,28+,29-,30-,31+,32+,34-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at human recombinant VDR LBD expressed in HEK293 cells assessed as inhibition of 3 nM 1,25-(OH)2D3-induced transcriptional activa...				Bioorg Med Chem Lett 20: 1712-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.079 BindingDB Entry DOI: 10.7270/Q2TM7B76
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50147586 ((S)-4-{2-[(3R,7S)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@H](O)C1=CC(=O)OC1O |t:24| Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25A activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50147585 ((R)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@@H](O)C1=CC(=O)OC1O |t:24| Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25A activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50147582 (4-{(R)-2-[(3aR,4S)-1-((1R,2R)-1,5-Dimethyl-hexyl)-...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@@H](O)C1=CC(=O)OC1O |t:24| Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25A activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50147583 ((S)-4-Methylene-3-{2-[(R)-7a-(R)-methyl-1-((R)-5-m...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C Show InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26?,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25A activity; Value ranges from 0.44 uM to 0.89 uM				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50147587 ((S)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@H](O)C1=CC(=O)OC1O |t:24| Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25A activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50147585 ((R)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@@H](O)C1=CC(=O)OC1O |t:24| Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25B activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50147587 ((S)-4-{2-[(3R,7R)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@]2(C)C[C@H](O)C1=CC(=O)OC1O |t:24| Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25B activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50147582 (4-{(R)-2-[(3aR,4S)-1-((1R,2R)-1,5-Dimethyl-hexyl)-...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@@H](O)C1=CC(=O)OC1O |t:24| Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20-,21?,23?,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25B activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50147586 ((S)-4-{2-[(3R,7S)-1-((2R,3R)-1,5-Dimethyl-hexyl)-4...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2[C@]1(C)CCC[C@@]2(C)C[C@H](O)C1=CC(=O)OC1O |t:24| Show InChI InChI=1S/C25H42O4/c1-16(2)8-6-9-17(3)19-10-11-21-24(4,12-7-13-25(19,21)5)15-20(26)18-14-22(27)29-23(18)28/h14,16-17,19-21,23,26,28H,6-13,15H2,1-5H3/t17-,19-,20+,21?,23?,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25B activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23843 (5,16,25-trimethoxy-14-oxapentacyclo[20.2.2.2^{10,1...) Show SMILES COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(OC)c5)ccc4OC)cc3)c1 Show InChI InChI=1S/C31H30O4/c1-32-26-14-16-27-24(20-26)11-6-21-7-12-25(13-8-21)35-31-19-23(10-17-29(31)33-2)5-4-22-9-15-28(27)30(18-22)34-3/h7-10,12-20H,4-6,11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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	37
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23844 (16,25-dimethoxy-14-oxapentacyclo[20.2.2.2^{10,13}....) Show SMILES COc1ccc2CCc3ccc(c(OC)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3 Show InChI InChI=1S/C30H28O3/c1-31-28-18-13-23-8-7-22-12-17-27(29(19-22)32-2)26-6-4-3-5-24(26)14-9-21-10-15-25(16-11-21)33-30(28)20-23/h3-6,10-13,15-20H,7-9,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	37
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50315537 (CHEMBL1089316 | chaetocin) Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21| Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23848 (25-methoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1^{15...) Show SMILES COc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3 Show InChI InChI=1S/C29H26O2/c1-30-29-20-23-10-9-22-5-4-7-26(19-22)31-25-16-12-21(13-17-25)11-15-24-6-2-3-8-27(24)28(29)18-14-23/h2-8,12-14,16-20H,9-11,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23842 (2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	37
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23853 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3 Show InChI InChI=1S/C28H24O2/c29-28-19-22-9-8-21-4-3-6-25(18-21)30-24-15-11-20(12-16-24)10-14-23-5-1-2-7-26(23)27(28)17-13-22/h1-7,11-13,15-19,29H,8-10,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425308 (CHEMBL2311579) Show SMILES CN1C(=O)[C@@]23C[C@H]4[C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3 |r,THB:7:15:1.2:28.29,17:16:1.2:28.29| Show InChI InChI=1S/C21H29N3O3S2Si/c1-19(2,3)30(5,6)27-12-21-18(26)24-16-14(13-9-7-8-10-15(13)22-16)11-20(24,28-29-21)17(25)23(21)4/h7-10,14,16,22H,11-12H2,1-6H3/t14-,16-,20+,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50313152 ((3R,5S)-5-((R)-2-((1R,3aS,7aR,E)-4-((Z)-2-((3S,5R)...) Show SMILES C[C@H](C[C@H]1C[C@@](C)(O)C(=O)N1CCc1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C35H49NO4/c1-23(19-28-22-35(4,40)33(39)36(28)18-16-25-9-6-5-7-10-25)30-14-15-31-26(11-8-17-34(30,31)3)12-13-27-20-29(37)21-32(38)24(27)2/h5-7,9-10,12-13,23,28-32,37-38,40H,2,8,11,14-22H2,1,3-4H3/b26-12+,27-13-/t23-,28+,29-,30-,31+,32+,34-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at human recombinant VDR LBD expressed in HEK293 cells assessed as inhibition of 300 nM 1,25-(OH)2D3-induced transcriptional acti...				Bioorg Med Chem Lett 20: 1712-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.079 BindingDB Entry DOI: 10.7270/Q2TM7B76
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23845 (5,16-dimethoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1...) Show SMILES COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4OC)cc3)c1 Show InChI InChI=1S/C30H28O3/c1-31-27-16-17-28-24-11-5-21(6-12-24)3-4-23-10-18-29(32-2)30(19-23)33-26-14-8-22(9-15-26)7-13-25(28)20-27/h5-6,8-12,14-20H,3-4,7,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	37
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23850 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4O)cc3)c1 Show InChI InChI=1S/C28H24O3/c29-24-12-15-26-22-9-3-19(4-10-22)1-2-21-8-16-27(30)28(17-21)31-25-13-6-20(7-14-25)5-11-23(26)18-24/h3-4,6-10,12-18,29-30H,1-2,5,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL32 (Saccharomyces cerevisiae)	BDBM19992 (2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methy...) Show SMILES OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	7.0	37
University of Tokyo					Assay Description The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL32 (Saccharomyces cerevisiae)	BDBM23850 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4O)cc3)c1 Show InChI InChI=1S/C28H24O3/c29-24-12-15-26-22-9-3-19(4-10-22)1-2-21-8-16-27(30)28(17-21)31-25-13-6-20(7-14-25)5-11-23(26)18-24/h3-4,6-10,12-18,29-30H,1-2,5,11H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	7.0	37
University of Tokyo					Assay Description The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23839 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(O)c5)ccc4O)cc3)c1 Show InChI InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	37
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL32 (Saccharomyces cerevisiae)	BDBM23851 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(O)c5)c4)cc3)c1 Show InChI InChI=1S/C28H24O3/c29-23-11-15-26-22(18-23)10-6-19-7-12-24(13-8-19)31-25-3-1-2-20(16-25)4-5-21-9-14-27(26)28(30)17-21/h1-3,7-9,11-18,29-30H,4-6,10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	7.0	37
University of Tokyo					Assay Description The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425305 (CHEMBL2315521) Show SMILES CN1C(=O)C23CCCN2C(=O)C1(CO)SS3 Show InChI InChI=1S/C9H12N2O3S2/c1-10-6(13)8-3-2-4-11(8)7(14)9(10,5-12)16-15-8/h12H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425304 (CHEMBL2315522) Show SMILES CN1C(=O)C23CCCN2C(=O)C1(CO)SSS3 Show InChI InChI=1S/C9H12N2O3S3/c1-10-6(13)8-3-2-4-11(8)7(14)9(10,5-12)16-17-15-8/h12H,2-5H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50087141 ((E)-2-((1R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C(O)=O |r| Show InChI InChI=1S/C20H34O2/c1-14(2)7-5-8-15(3)17-10-11-18-16(13-19(21)22)9-6-12-20(17,18)4/h13-15,17-18H,5-12H2,1-4H3,(H,21,22)/b16-13+/t15-,17-,18?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25A activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23852 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3 Show InChI InChI=1S/C28H24O2/c29-27-18-12-22-6-5-20-8-14-24(15-9-20)26-4-2-1-3-23(26)13-7-21-10-16-25(17-11-21)30-28(27)19-22/h1-4,8-12,14-19,29H,5-7,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50396029 (CHEMBL1222849) Show SMILES CN1C(=O)[C@]23C[C@@]4([C@@H](Nc5ccccc45)N2C(=O)[C@@]1(CO)SS3)[C@@]12C[C@@]34SS[C@@](CO)(N(C)C3=O)C(=O)N4[C@@H]1Nc1ccccc21 |r,TLB:38:37:31.33:27.26,36:35:31.33:27.26,THB:17:16:1.2:21.22,7:15:1.2:21.22| Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM23839 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(O)c5)ccc4O)cc3)c1 Show InChI InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23849 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc2CCc3ccc(c(O)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3 Show InChI InChI=1S/C28H24O3/c29-26-16-11-21-6-5-20-10-15-25(27(30)17-20)24-4-2-1-3-22(24)12-7-19-8-13-23(14-9-19)31-28(26)18-21/h1-4,8-11,13-18,29-30H,5-7,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23854 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES C1Cc2cccc(Oc3ccc(CCc4ccccc4-c4ccc1cc4)cc3)c2 Show InChI InChI=1S/C28H24O/c1-2-7-28-24(5-1)15-10-22-13-18-26(19-14-22)29-27-6-3-4-23(20-27)9-8-21-11-16-25(28)17-12-21/h1-7,11-14,16-20H,8-10,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50315537 (CHEMBL1089316 | chaetocin) Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21| Show InChI InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50425311 (CHEMBL2315526) Show SMILES CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3)[C@]12C[C@]34SS[C@@](CO[Si](C)(C)C(C)(C)C)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,TLB:50:49:45.47:34.33,52:51:45.47:34.33,THB:7:15:1.2:28.29,17:16:1.2:28.29| Show InChI InChI=1S/C42H56N6O6S4Si2/c1-35(2,3)59(9,10)53-23-41-33(51)47-29-37(25-17-13-15-19-27(25)43-29,21-39(47,55-57-41)31(49)45(41)7)38-22-40-32(50)46(8)42(58-56-40,24-54-60(11,12)36(4,5)6)34(52)48(40)30(38)44-28-20-16-14-18-26(28)38/h13-20,29-30,43-44H,21-24H2,1-12H3/t29-,30-,37+,38+,39+,40+,41-,42-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM23853 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3 Show InChI InChI=1S/C28H24O2/c29-28-19-22-9-8-21-4-3-6-25(18-21)30-24-15-11-20(12-16-24)10-14-23-5-1-2-7-26(23)27(28)17-13-22/h1-7,11-13,15-19,29H,8-10,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23847 (16-methoxy-14-oxapentacyclo[20.2.2.2^{10,13}.1^{15...) Show SMILES COc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3 Show InChI InChI=1S/C29H26O2/c1-30-28-19-13-23-7-6-21-9-15-25(16-10-21)27-5-3-2-4-24(27)14-8-22-11-17-26(18-12-22)31-29(28)20-23/h2-5,9-13,15-20H,6-8,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM23850 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4O)cc3)c1 Show InChI InChI=1S/C28H24O3/c29-24-12-15-26-22-9-3-19(4-10-22)1-2-21-8-16-27(30)28(17-21)31-25-13-6-20(7-14-25)5-11-23(26)18-24/h3-4,6-10,12-18,29-30H,1-2,5,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50087141 ((E)-2-((1R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C(O)=O |r| Show InChI InChI=1S/C20H34O2/c1-14(2)7-5-8-15(3)17-10-11-18-16(13-19(21)22)9-6-12-20(17,18)4/h13-15,17-18H,5-12H2,1-4H3,(H,21,22)/b16-13+/t15-,17-,18?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required for the inhibitory activity against human Cell division cycle 25A				Bioorg Med Chem Lett 10: 615-7 (2000) BindingDB Entry DOI: 10.7270/Q27H1HT9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50087141 ((E)-2-((1R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C(O)=O |r| Show InChI InChI=1S/C20H34O2/c1-14(2)7-5-8-15(3)17-10-11-18-16(13-19(21)22)9-6-12-20(17,18)4/h13-15,17-18H,5-12H2,1-4H3,(H,21,22)/b16-13+/t15-,17-,18?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25B activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL32 (Saccharomyces cerevisiae)	BDBM23842 (2-[2,6-bis(propan-2-yl)phenyl]-3-sulfanylidene-2,3...) Show SMILES CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S Show InChI InChI=1S/C20H21NOS/c1-12(2)14-10-7-11-15(13(3)4)18(14)21-19(22)16-8-5-6-9-17(16)20(21)23/h5-13H,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	7.0	37
University of Tokyo					Assay Description The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23851 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(O)c5)c4)cc3)c1 Show InChI InChI=1S/C28H24O3/c29-23-11-15-26-22(18-23)10-6-19-7-12-24(13-8-19)31-25-3-1-2-20(16-25)4-5-21-9-14-27(26)28(30)17-21/h1-3,7-9,11-18,29-30H,4-6,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL32 (Saccharomyces cerevisiae)	BDBM23849 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc2CCc3ccc(c(O)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3 Show InChI InChI=1S/C28H24O3/c29-26-16-11-21-6-5-20-10-15-25(27(30)17-20)24-4-2-1-3-22(24)12-7-19-8-13-23(14-9-19)31-28(26)18-21/h1-4,8-11,13-18,29-30H,5-7,12H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	7.0	37
University of Tokyo					Assay Description The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50087143 (4-[(1R,7aR)-1-((R)-1,5-Dimethyl-hexyl)-7a-methyl-o...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C(CCCC(O)=O)CCC[C@]12C Show InChI InChI=1S/C22H40O2/c1-16(2)8-5-9-17(3)19-13-14-20-18(10-6-12-21(23)24)11-7-15-22(19,20)4/h16-20H,5-15H2,1-4H3,(H,23,24)/t17-,18?,19-,20?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required for the inhibitory activity against human Cell division cycle 25A				Bioorg Med Chem Lett 10: 615-7 (2000) BindingDB Entry DOI: 10.7270/Q27H1HT9
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50341997 (CHEMBL1765353 | Dysidiolide) Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)C[C@@H](O)C1=CC(=O)O[C@H]1O |r,c:3,t:24| Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Concentration required to inhibit human Cell division cycle 25A activity				Bioorg Med Chem Lett 14: 3291-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.100 BindingDB Entry DOI: 10.7270/Q23T9GNJ
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23840 (2-[2-(2-phenylethyl)phenyl]-2,3-dihydro-1H-isoindo...) Show SMILES O=C1N(C(=O)c2ccccc12)c1ccccc1CCc1ccccc1 Show InChI InChI=1S/C22H17NO2/c24-21-18-11-5-6-12-19(18)22(25)23(21)20-13-7-4-10-17(20)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	37
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL32 (Saccharomyces cerevisiae)	BDBM23839 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(O)c5)ccc4O)cc3)c1 Show InChI InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	7.0	37
University of Tokyo					Assay Description The alpha-glucosidase inhibitory activity of test compounds was determined in a 96-well plate format. The reaction mixture containing enzyme and chro...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM23851 (14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7...) Show SMILES Oc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(O)c5)c4)cc3)c1 Show InChI InChI=1S/C28H24O3/c29-23-11-15-26-22(18-23)10-6-19-7-12-24(13-8-19)31-25-3-1-2-20(16-25)4-5-21-9-14-27(26)28(30)17-21/h1-3,7-9,11-18,29-30H,4-6,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo					Assay Description Human embryonic kidney (HEK) 293 cells were cultured in D-MEM medium. Transfections were performed by the calcium phosphate coprecipitation method. T...				Bioorg Med Chem 16: 4272-85 (2008) Article DOI: 10.1016/j.bmc.2008.02.078 BindingDB Entry DOI: 10.7270/Q28S4N7J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 192 total )  |  Next  |  Last  >>

Jump to: