Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'nickel' and Initial = 'c'   

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
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182122 (CHEMBL204688 | bis(2,4-dinitrophenyl)sulfane) Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to Plasmodium falciparum TrxR in presence of thioredoxin				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182122 (CHEMBL204688 | bis(2,4-dinitrophenyl)sulfane) Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to Plasmodium falciparum TrxR in presence of NADPH				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182128 (4-nitrobenzo[c][1,2,5]thiadiazole | CHEMBL383084) Show SMILES [O-][N+](=O)c1cccc2nsnc12 Show InChI InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to Plasmodium falciparum TrxR in presence of thioredoxin				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182128 (4-nitrobenzo[c][1,2,5]thiadiazole | CHEMBL383084) Show SMILES [O-][N+](=O)c1cccc2nsnc12 Show InChI InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to Plasmodium falciparum TrxR in presence of NADPH				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50012278 ((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...) Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50035218 (CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50482385 (CHEMBL1210322) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C1/c2cccc(Cl)c2C(=O)c2cccc(Cl)c12 Show InChI InChI=1S/C25H18Cl2O5/c1-30-20-10-13(11-21(31-2)25(20)32-3)19(28)12-16-14-6-4-9-18(27)23(14)24(29)15-7-5-8-17(26)22(15)16/h4-12H,1-3H3/b16-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50469121 (CHEMBL1210876) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)cc1-[#8] Show InChI InChI=1S/C22H14Cl2O3/c1-27-19-9-8-12(11-18(19)25)10-15-13-4-2-6-16(23)20(13)22(26)21-14(15)5-3-7-17(21)24/h2-11,25H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50469125 (CHEMBL1210959) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)c(-[#8]-[#6])c1-[#8] Show InChI InChI=1S/C23H16Cl2O4/c1-28-18-10-9-12(23(29-2)21(18)26)11-15-13-5-3-7-16(24)19(13)22(27)20-14(15)6-4-8-17(20)25/h3-11,26H,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482387 (CHEMBL1209944) Show SMILES COc1cc(\C=C2\c3cccc(Cl)c3C(=O)c3cccc(Cl)c23)ccc1O Show InChI InChI=1S/C22H14Cl2O3/c1-27-19-11-12(8-9-18(19)25)10-15-13-4-2-7-17(24)21(13)22(26)14-5-3-6-16(23)20(14)15/h2-11,25H,1H3/b15-10-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482392 (CHEMBL1210418) Show SMILES CC(=O)Oc1ccc(cc1)C(=O)\C=C1/c2cccc(Cl)c2C(=O)c2cccc(Cl)c12 Show InChI InChI=1S/C24H14Cl2O4/c1-13(27)30-15-10-8-14(9-11-15)21(28)12-18-16-4-2-7-20(26)23(16)24(29)17-5-3-6-19(25)22(17)18/h2-12H,1H3/b18-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482380 (CHEMBL1209943) Show SMILES COc1ccc(\C=C2/c3cccc(Cl)c3C(=O)c3cccc(Cl)c23)cc1O Show InChI InChI=1S/C22H14Cl2O3/c1-27-19-9-8-12(11-18(19)25)10-15-13-4-2-7-17(24)21(13)22(26)14-5-3-6-16(23)20(14)15/h2-11,25H,1H3/b15-10+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182122 (CHEMBL204688 | bis(2,4-dinitrophenyl)sulfane) Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482374 (CHEMBL1210416) Show SMILES Clc1cccc2\C(=C/C(=O)c3ccc(Br)cc3)c3c(Cl)cccc3C(=O)c12 Show InChI InChI=1S/C22H11BrCl2O2/c23-13-9-7-12(8-10-13)19(26)11-16-14-3-1-6-18(25)21(14)22(27)15-4-2-5-17(24)20(15)16/h1-11H/b16-11+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482379 (CHEMBL1210963) Show SMILES COc1ccc(\C=C2\c3cccc(Cl)c3C(=O)c3cccc(Cl)c23)cc1 Show InChI InChI=1S/C22H14Cl2O2/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-7-19(24)21(15)22(25)16-5-3-6-18(23)20(16)17/h2-12H,1H3/b17-12-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482372 (CHEMBL1210319) Show SMILES COc1ccc(cc1)C(=O)\C=C1/c2cccc(Cl)c2C(=O)c2cccc(Cl)c12 Show InChI InChI=1S/C23H14Cl2O3/c1-28-14-10-8-13(9-11-14)20(26)12-17-15-4-2-7-19(25)22(15)23(27)16-5-3-6-18(24)21(16)17/h2-12H,1H3/b17-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482373 (CHEMBL1210321) Show SMILES COc1ccc(cc1OC)C(=O)\C=C1/c2cccc(Cl)c2C(=O)c2cccc(Cl)c12 Show InChI InChI=1S/C24H16Cl2O4/c1-29-20-10-9-13(11-21(20)30-2)19(27)12-16-14-5-3-8-18(26)23(14)24(28)15-6-4-7-17(25)22(15)16/h3-12H,1-2H3/b16-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482393 (CHEMBL1210320) Show SMILES COc1cccc(c1)C(=O)\C=C1/c2cccc(Cl)c2C(=O)c2cccc(Cl)c12 Show InChI InChI=1S/C23H14Cl2O3/c1-28-14-6-2-5-13(11-14)20(26)12-17-15-7-3-10-19(25)22(15)23(27)16-8-4-9-18(24)21(16)17/h2-12H,1H3/b17-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482378 (CHEMBL1210962) Show SMILES COc1ccc(\C=C2/c3cccc(Cl)c3C(=O)c3cccc(Cl)c23)cc1 Show InChI InChI=1S/C22H14Cl2O2/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-7-19(24)21(15)22(25)16-5-3-6-18(23)20(16)17/h2-12H,1H3/b17-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482375 (CHEMBL1210419) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)\[#6]=[#6]-1/c2cccc(Cl)c2-[#6](=O)-c2c(Cl)cccc-12 Show InChI InChI=1S/C23H14Cl2O3/c1-28-14-10-8-13(9-11-14)20(26)12-17-15-4-2-6-18(24)21(15)23(27)22-16(17)5-3-7-19(22)25/h2-12H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM97233 (CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50482382 (CHEMBL1210818) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)cc1 Show InChI InChI=1S/C22H14Cl2O2/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-6-18(23)20(15)22(25)21-16(17)5-3-7-19(21)24/h2-12H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482371 (CHEMBL1210184) Show SMILES COc1ccc(CC2c3cccc(Cl)c3C(=O)c3c(Cl)cccc23)cc1O Show InChI InChI=1S/C22H16Cl2O3/c1-27-19-9-8-12(11-18(19)25)10-15-13-4-2-6-16(23)20(13)22(26)21-14(15)5-3-7-17(21)24/h2-9,11,15,25H,10H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50014846 ((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50482390 (CHEMBL1210879) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)c(-[#8])c1 Show InChI InChI=1S/C22H14Cl2O3/c1-27-13-9-8-12(19(25)11-13)10-16-14-4-2-6-17(23)20(14)22(26)21-15(16)5-3-7-18(21)24/h2-11,25H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482386 (CHEMBL1210420) Show SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8]-[#6])-[#6](=O)\[#6]=[#6]-1/c2cccc(Cl)c2-[#6](=O)-c2c(Cl)cccc-12 Show InChI InChI=1S/C25H18Cl2O5/c1-30-20-10-13(11-21(31-2)25(20)32-3)19(28)12-16-14-6-4-8-17(26)22(14)24(29)23-15(16)7-5-9-18(23)27/h4-12H,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50469126 (CHEMBL1210880) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)cc(-[#8]-[#6])c1-[#8] Show InChI InChI=1S/C23H16Cl2O4/c1-28-18-10-12(11-19(29-2)22(18)26)9-15-13-5-3-7-16(24)20(13)23(27)21-14(15)6-4-8-17(21)25/h3-11,26H,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482384 (CHEMBL1210253) Show SMILES Clc1cccc2\C(=C/C(=O)c3ccccc3)c3c(Cl)cccc3C(=O)c12 Show InChI InChI=1S/C22H12Cl2O2/c23-17-10-5-9-15-20(17)16(12-19(25)13-6-2-1-3-7-13)14-8-4-11-18(24)21(14)22(15)26/h1-12H/b16-12+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482391 (CHEMBL1210066) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc1-[#8] Show InChI InChI=1S/C22H16O5/c1-27-19-9-8-12(11-18(19)25)10-15-13-4-2-6-16(23)20(13)22(26)21-14(15)5-3-7-17(21)24/h2-11,23-25H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic/2, mitochondrial/3 (Homo sapiens (Human))	BDBM50182130 (4,6-dinitrobenzo[c][1,2,5]thiadiazole | CHEMBL2061...) Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2nsnc2c1 Show InChI InChI=1S/C6H2N4O4S/c11-9(12)3-1-4-6(8-15-7-4)5(2-3)10(13)14/h1-2H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50469123 (CHEMBL1210878) Show SMILES [#6]-[#8]-c1cccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)c1-[#8] Show InChI InChI=1S/C22H14Cl2O3/c1-27-18-10-2-5-12(21(18)25)11-15-13-6-3-8-16(23)19(13)22(26)20-14(15)7-4-9-17(20)24/h2-11,25H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482370 (CHEMBL1210123) Show SMILES COc1ccc(CC2c3cccc(Cl)c3C(=O)c3c(Cl)cccc23)cc1 Show InChI InChI=1S/C22H16Cl2O2/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-6-18(23)20(15)22(25)21-16(17)5-3-7-19(21)24/h2-11,17H,12H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182128 (4-nitrobenzo[c][1,2,5]thiadiazole | CHEMBL383084) Show SMILES [O-][N+](=O)c1cccc2nsnc12 Show InChI InChI=1S/C6H3N3O2S/c10-9(11)5-3-1-2-4-6(5)8-12-7-4/h1-3H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482383 (CHEMBL1210067) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(-[#8]-[#6])c3-[#6](=O)-c3c(-[#8]-[#6])cccc-23)cc1 Show InChI InChI=1S/C24H20O4/c1-26-16-12-10-15(11-13-16)14-19-17-6-4-8-20(27-2)22(17)24(25)23-18(19)7-5-9-21(23)28-3/h4-14H,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182124 (6,7-dinitroquinoxaline | CHEMBL380953) Show SMILES [O-][N+](=O)c1cc2nccnc2cc1[N+]([O-])=O Show InChI InChI=1S/C8H4N4O4/c13-11(14)7-3-5-6(10-2-1-9-5)4-8(7)12(15)16/h1-4H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482381 (CHEMBL130441) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc1 Show InChI InChI=1S/C22H16O4/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-6-18(23)20(15)22(25)21-16(17)5-3-7-19(21)24/h2-12,23-24H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic/2, mitochondrial/3 (Homo sapiens (Human))	BDBM50182122 (CHEMBL204688 | bis(2,4-dinitrophenyl)sulfane) Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C12H6N4O8S/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482377 (CHEMBL1210877) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)ccc1-[#8] Show InChI InChI=1S/C22H14Cl2O3/c1-27-19-11-12(8-9-18(19)25)10-15-13-4-2-6-16(23)20(13)22(26)21-14(15)5-3-7-17(21)24/h2-11,25H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50068343 (2-Chloro-1,3-dinitro-5-trifluoromethyl-benzene | 2...) Show SMILES [O-][N+](=O)c1cc(cc(c1Cl)[N+]([O-])=O)C(F)(F)F Show InChI InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50043361 (10-Benzylidene-1,8-dihydroxy-10H-anthracen-9-one |...) Show SMILES [#8]-c1cccc2\[#6](=[#6]\c3ccccc3)-c3cccc(-[#8])c3-[#6](=O)-c12 Show InChI InChI=1S/C21H14O3/c22-17-10-4-8-14-16(12-13-6-2-1-3-7-13)15-9-5-11-18(23)20(15)21(24)19(14)17/h1-12,22-23H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482376 (CHEMBL1210819) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)cc(-[#8]-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C24H18Cl2O4/c1-28-19-11-13(12-20(29-2)24(19)30-3)10-16-14-6-4-8-17(25)21(14)23(27)22-15(16)7-5-9-18(22)26/h4-12H,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182121 (4,5-dinitrobenzo[d][1,3]dioxole | CHEMBL206829) Show SMILES [O-][N+](=O)c1ccc2OCOc2c1[N+]([O-])=O Show InChI InChI=1S/C7H4N2O6/c10-8(11)4-1-2-5-7(15-3-14-5)6(4)9(12)13/h1-2H,3H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182130 (4,6-dinitrobenzo[c][1,2,5]thiadiazole | CHEMBL2061...) Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2nsnc2c1 Show InChI InChI=1S/C6H2N4O4S/c11-9(12)3-1-4-6(8-15-7-4)5(2-3)10(13)14/h1-2H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL 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 Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182129 (5-nitrobenzo[c][1,2,5]thiadiazole | CHEMBL206713) Show SMILES [O-][N+](=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C6H3N3O2S/c10-9(11)4-1-2-5-6(3-4)8-12-7-5/h1-3H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50043348 (1,8-Dihydroxy-10-(4-nitro-benzylidene)-10H-anthrac...) Show SMILES [#8]-c1cccc2\[#6](=[#6]\c3ccc(cc3)-[#7+](-[#8-])=O)-c3cccc(-[#8])c3-[#6](=O)-c12 Show InChI InChI=1S/C21H13NO5/c23-17-5-1-3-14-16(11-12-7-9-13(10-8-12)22(26)27)15-4-2-6-18(24)20(15)21(25)19(14)17/h1-11,23-24H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482389 (CHEMBL129939) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2\c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc(-[#8]-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C24H20O6/c1-28-19-11-13(12-20(29-2)24(19)30-3)10-16-14-6-4-8-17(25)21(14)23(27)22-15(16)7-5-9-18(22)26/h4-12,25-26H,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482388 (CHEMBL335282) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3cccc(-[#8])c3-[#6](=O)-c3c(-[#8])cccc-23)cc1-[#8]-[#6] Show InChI InChI=1S/C23H18O5/c1-27-19-10-9-13(12-20(19)28-2)11-16-14-5-3-7-17(24)21(14)23(26)22-15(16)6-4-8-18(22)25/h3-12,24-25H,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182125 (CHEMBL204687 | bis(2-nitro-4-(trifluoromethyl)phen...) Show SMILES [O-][N+](=O)c1cc(ccc1Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C14H6F6N2O4S/c15-13(16,17)7-1-3-11(9(5-7)21(23)24)27-12-4-2-8(14(18,19)20)6-10(12)22(25)26/h1-6H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182126 (1,3-dinitro-5-(trifluoromethyl)benzene | CHEMBL380...) Show SMILES [O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182127 (6-nitroquinoxaline | CHEMBL380630 | TCMDC-123943) Show SMILES [O-][N+](=O)c1ccc2nccnc2c1 Show InChI InChI=1S/C8H5N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-5H	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum TrxR				Bioorg Med Chem Lett 16: 2283-92 (2006) Article DOI: 10.1016/j.bmcl.2006.01.027 BindingDB Entry DOI: 10.7270/Q2FB52HJ
					More data for this Ligand-Target Pair

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