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Compile Data Set for Download or QSAR

Found 2 hits of kd for UniProtKB: P02554   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tubulin beta chain


(Sus scrofa)
BDBM50030766
PNG
(CHEMBL3342339)
Show SMILES O=C(c1ccccc1)c1cccc(\C=c2/[nH]c(=O)\c(=C\c3ccccn3)[nH]c2=O)c1
Show InChI InChI=1S/C24H17N3O3/c28-22(17-8-2-1-3-9-17)18-10-6-7-16(13-18)14-20-23(29)27-21(24(30)26-20)15-19-11-4-5-12-25-19/h1-15H,(H,26,30)(H,27,29)/b20-14-,21-15-
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin incubated for 1 hr by spectrofluorometry


ACS Med Chem Lett 5: 1094-8 (2014)


Article DOI: 10.1021/ml5001883
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50030765
PNG
(NPI-2358 | PLINABULIN | Plinabulin)
Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.00E+3n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin incubated for 1 hr by spectrofluorometry


ACS Med Chem Lett 5: 1094-8 (2014)


Article DOI: 10.1021/ml5001883
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)