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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tubulin' and Ligand = 'BDBM81751'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tubulin


(Sus scrofa (Pig))
BDBM81751
PNG
(Chembridge No 9041709, Class 2, 11)
Show SMILES O=C(N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N4O2/c22-15-18-21(27-19(23-18)16-7-3-1-4-8-16)25-13-11-24(12-14-25)20(26)17-9-5-2-6-10-17/h1-10H,11-14H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81751
PNG
(Chembridge No 9041709, Class 2, 11)
Show SMILES O=C(N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N4O2/c22-15-18-21(27-19(23-18)16-7-3-1-4-8-16)25-13-11-24(12-14-25)20(26)17-9-5-2-6-10-17/h1-10H,11-14H2
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair