Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tubulin beta chain' and Ligand = 'BDBM50483308'   

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 (Sus scrofa)	BDBM50483308 (CHEMBL1643852) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCn3cc(CC(C)(C)c4ocnc4\C=c4/[nH]c(=O)\c(=C\c5cccc(c5)C(=O)c5ccccc5)[nH]c4=O)nn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C53H67N11O8S/c1-53(2,49-39(57-34-72-49)30-41-51(70)58-40(50(69)59-41)29-35-16-14-19-37(28-35)48(68)36-17-6-3-7-18-36)31-38-32-64(63-62-38)27-15-26-56-45(66)22-9-5-12-24-54-44(65)21-8-4-13-25-55-46(67)23-11-10-20-43-47-42(33-73-43)60-52(71)61-47/h3,6-7,14,16-19,28-30,32,34,42-43,47H,4-5,8-13,15,20-27,31,33H2,1-2H3,(H,54,65)(H,55,67)(H,56,66)(H,58,70)(H,59,69)(H2,60,61,71)/b40-29-,41-30-/t42-,43-,47-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis				Bioorg Med Chem 19: 595-602 (2011) Article DOI: 10.1016/j.bmc.2010.10.055 BindingDB Entry DOI: 10.7270/Q2WS8X2Q
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