Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50015767   

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
Tubulin beta chain [1-43] (Leishmania donovani)	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160801 (4-(4-Hydroxy-benzyl)-3-[2-(3-hydroxy-phenyl)-ethyl...) Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1Cc1ccc(O)cc1 Show InChI InChI=1S/C22H22O4/c1-26-22-14-20(25)13-17(8-5-15-3-2-4-19(24)11-15)21(22)12-16-6-9-18(23)10-7-16/h2-4,6-7,9-11,13-14,23-25H,5,8,12H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160802 (2,4-Bis-(4-hydroxy-benzyl)-3-[2-(3-hydroxy-phenyl)...) Show SMILES COc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cccc(O)c2)c1Cc1ccc(O)cc1 Show InChI InChI=1S/C29H28O5/c1-34-29-18-28(33)26(16-20-5-10-22(30)11-6-20)25(14-9-19-3-2-4-24(32)15-19)27(29)17-21-7-12-23(31)13-8-21/h2-8,10-13,15,18,30-33H,9,14,16-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	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
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160798 (4,4''-Dimethoxy-9,10-dihydro-[1,1'']biphenanthreny...) Show SMILES COc1cc(O)c(c2CCc3cc(O)ccc3-c12)-c1c(O)cc(OC)c2c1ccc1cc(O)ccc21 |(-6.98,.32,;-5.62,1.08,;-4.28,.3,;-4.31,-1.24,;-2.97,-2.02,;-2.97,-3.57,;-1.63,-1.27,;-1.63,.27,;-.27,1.03,;-.3,2.58,;-1.61,3.35,;-1.61,4.92,;-2.95,5.69,;-2.97,7.24,;-4.28,4.9,;-4.28,3.35,;-2.95,2.6,;-2.95,1.06,;-.3,-2.05,;-.32,-3.6,;-1.68,-4.35,;1.01,-4.37,;2.35,-3.61,;3.69,-4.39,;5.03,-3.62,;2.35,-2.05,;1.02,-1.27,;1.04,.26,;2.38,1.02,;3.69,.23,;5.03,.99,;6.34,.21,;7.69,.98,;6.34,-1.32,;5,-2.07,;3.69,-1.3,)| Show InChI InChI=1S/C30H24O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3,5-7,9-14,31-34H,4,8H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160805 (1-(4-Hydroxy-benzyl)-4,8-dimethoxy-phenanthrene-2,...) Show SMILES COc1cc(O)c(Cc2ccc(O)cc2)c2ccc3c(OC)c(O)ccc3c12 Show InChI InChI=1S/C23H20O5/c1-27-21-12-20(26)18(11-13-3-5-14(24)6-4-13)16-7-8-17-15(22(16)21)9-10-19(25)23(17)28-2/h3-10,12,24-26H,11H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160803 (4,4''-Dimethoxy-9,10,9'',10''-tetrahydro-[1,3'']bi...) Show SMILES COc1cc(O)c(c2CCc3cc(O)ccc3-c12)-c1c(O)cc2CCc3cc(O)ccc3-c2c1OC |(-6.97,.26,;-5.64,1.03,;-4.31,.27,;-4.31,-1.28,;-2.98,-2.05,;-2.98,-3.58,;-1.65,-1.28,;-1.65,.26,;-.32,1.03,;-.3,2.56,;-1.63,3.33,;-1.6,4.85,;-2.93,5.65,;-2.93,7.18,;-4.29,4.89,;-4.31,3.35,;-2.98,2.57,;-2.98,1.04,;-.32,-2.05,;-.32,-3.59,;-1.65,-4.36,;1.01,-4.36,;2.34,-3.59,;3.67,-4.36,;5.02,-3.59,;5.02,-2.05,;6.38,-1.27,;6.38,.28,;7.73,1.05,;5.02,1.07,;3.69,.3,;3.69,-1.26,;2.34,-2.05,;1.01,-1.27,;1.01,.26,;2.34,1.03,)| Show InChI InChI=1S/C30H26O6/c1-35-25-14-24(34)28(22-8-5-16-12-19(32)7-10-21(16)27(22)25)29-23(33)13-17-4-3-15-11-18(31)6-9-20(15)26(17)30(29)36-2/h6-7,9-14,31-34H,3-5,8H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160804 (4,4''-Dimethoxy-[1,1'']biphenanthrenyl-2,7,2'',7''...) Show SMILES COc1cc(O)c(-c2c(O)cc(OC)c3c2ccc2cc(O)ccc32)c2ccc3cc(O)ccc3c12 |(21.69,-24.1,;23.24,-24.11,;24.03,-22.77,;25.57,-22.77,;26.34,-21.43,;27.89,-21.43,;25.56,-20.11,;26.34,-18.76,;25.56,-17.43,;24,-17.44,;26.32,-16.09,;27.88,-16.08,;28.65,-14.73,;30.2,-14.73,;28.66,-17.42,;27.88,-18.76,;28.65,-20.1,;30.2,-20.1,;30.96,-18.75,;32.5,-18.75,;33.27,-17.42,;34.82,-17.42,;32.49,-16.09,;30.96,-16.1,;30.2,-17.42,;24.03,-20.11,;23.25,-18.77,;21.72,-18.78,;20.95,-20.11,;19.42,-20.11,;18.65,-21.43,;17.1,-21.43,;19.41,-22.77,;20.95,-22.78,;21.72,-21.44,;23.26,-21.44,)| Show InChI InChI=1S/C30H22O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3-14,31-34H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160800 (1,3-Bis-(4-hydroxy-benzyl)-4-methoxy-9,10-dihydro-...) Show SMILES COc1c(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c2CCc3cc(O)ccc3-c12 Show InChI InChI=1S/C29H26O5/c1-34-29-26(15-18-4-9-21(31)10-5-18)28(33)25(14-17-2-7-20(30)8-3-17)24-12-6-19-16-22(32)11-13-23(19)27(24)29/h2-5,7-11,13,16,30-33H,6,12,14-15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair
Tubulin beta chain [1-43] (Leishmania donovani)	BDBM50160799 (8-(4-Hydroxy-benzyl)-7-methoxy-9,10-dihydro-phenan...) Show SMILES COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1Cc1ccc(O)cc1 Show InChI InChI=1S/C22H20O4/c1-26-21-12-20(25)22-17-9-7-16(24)11-14(17)4-8-18(22)19(21)10-13-2-5-15(23)6-3-13/h2-3,5-7,9,11-12,23-25H,4,8,10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site.				Bioorg Med Chem Lett 15: 1051-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.026 BindingDB Entry DOI: 10.7270/Q22Z151S
					More data for this Ligand-Target Pair