Compile Data Set for Download or QSAR

Found 2 hits of ec50 for UniProtKB: P02554   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tubulin beta chain (Sus scrofa)	BDBM50001839 (CHEMBL428647 | PACLITAXEL | taxol) Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)| Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	520	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Induction of porcine brain tubulin polymerization after 20 mins by Bradford assay				ACS Med Chem Lett 3: 745-748 (2012) Article DOI: 10.1021/ml300149z BindingDB Entry DOI: 10.7270/Q2F76GDH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50485690 (CHEMBL2152244) Show SMILES [H][C@@]12C[C@H](OC(=O)CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@]4([H])NC(=O)N[C@]34[H])[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:47.49,57.59,43.45,3.3,35.35,41.43,wD:86.93,59.61,55.87,71.79,84.91,69.73,1.0,32.31,c:54,(10.04,-20.96,;8.74,-21.73,;8.74,-20.19,;7.39,-19.42,;8.72,-18.63,;10.06,-17.85,;10.05,-16.3,;11.41,-18.62,;12.75,-17.83,;14.09,-18.6,;15.43,-17.82,;15.42,-16.27,;16.78,-18.59,;18.11,-17.8,;19.46,-18.57,;20.8,-17.79,;22.15,-18.56,;23.48,-17.77,;24.83,-18.54,;24.84,-20.09,;26.17,-17.76,;27.52,-18.53,;28.85,-17.75,;30.2,-18.51,;31.54,-17.73,;32.9,-18.55,;34.22,-17.72,;34.15,-16.17,;35.62,-18.42,;36.92,-17.58,;38.31,-18.3,;39.61,-17.46,;41,-18.16,;42.26,-17.26,;43.51,-18.19,;43.03,-19.65,;44.57,-19.48,;43.5,-21.14,;42.25,-22.03,;42.23,-23.59,;41,-21.14,;41.48,-19.65,;39.92,-19.79,;6.07,-20.19,;5,-21.26,;6.07,-18.66,;7.39,-17.88,;4.74,-17.89,;4.72,-16.37,;3.4,-15.6,;2.07,-16.38,;3.39,-14.07,;2.11,-19.4,;.79,-20.16,;-.53,-19.38,;.77,-21.7,;2.09,-22.47,;3.42,-21.72,;3.42,-23.25,;4.74,-22.49,;4.74,-24.03,;3.4,-24.79,;2.09,-24,;3.4,-26.31,;4.72,-27.07,;4.72,-28.61,;3.37,-29.37,;2.04,-28.6,;2.07,-27.07,;6.07,-21.73,;7.39,-20.96,;7.39,-22.49,;8.16,-23.83,;9.49,-23.07,;6.3,-23.56,;6.3,-25.1,;7.63,-25.88,;4.96,-25.87,;3.44,-20.18,;4.19,-18.84,;4.94,-19.78,;-.56,-22.45,;-1.89,-21.67,;-1.86,-20.14,;-3.21,-22.42,;-3.23,-23.96,;-4.53,-21.63,;-4.53,-20.11,;-5.83,-19.33,;-7.19,-20.1,;-5.83,-17.81,;-4.49,-17.05,;-4.49,-15.52,;-5.82,-14.75,;-7.14,-15.51,;-7.16,-17.04,;-5.86,-22.4,;-5.86,-23.93,;-7.21,-24.69,;-8.53,-23.91,;-8.52,-22.37,;-7.19,-21.62,)| Show InChI InChI=1S/C72H92N6O19S/c1-42-49(94-67(89)60(85)58(45-24-12-7-13-25-45)77-65(87)46-26-14-8-15-27-46)39-72(91)64(96-66(88)47-28-16-9-17-29-47)62-70(6,63(86)61(93-43(2)79)57(42)69(72,4)5)51(38-52-71(62,41-92-52)97-44(3)80)95-56(84)34-37-75-55(83)32-19-11-23-35-73-53(81)31-18-10-22-36-74-54(82)33-21-20-30-50-59-48(40-98-50)76-68(90)78-59/h7-9,12-17,24-29,48-52,58-62,64,85,91H,10-11,18-23,30-41H2,1-6H3,(H,73,81)(H,74,82)(H,75,83)(H,77,87)(H2,76,78,90)/t48-,49-,50-,51-,52+,58-,59-,60+,61+,62-,64-,70+,71-,72+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	680	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Induction of porcine brain tubulin polymerization after 20 mins by Bradford assay				ACS Med Chem Lett 3: 745-748 (2012) Article DOI: 10.1021/ml300149z BindingDB Entry DOI: 10.7270/Q2F76GDH
					More data for this Ligand-Target Pair