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BDBM81758 Chembridge No 9044486, Class 4, 6

SMILES: COC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2o1

InChI Key: InChIKey=LPQBVSZOGANREN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 81758   
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


(Sus scrofa (Pig))
BDBM81758
PNG
(Chembridge No 9044486, Class 4, 6)
Show SMILES COC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2o1
Show InChI InChI=1S/C15H12N2O4S2/c1-20-14(19)9-6-7-22-13(9)17-12(18)8-23-15-16-10-4-2-3-5-11(10)21-15/h2-7H,8H2,1H3,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+5n/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)

More data for this
Ligand-Target Pair
Tubulin


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81758
PNG
(Chembridge No 9044486, Class 4, 6)
Show SMILES COC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2o1
Show InChI InChI=1S/C15H12N2O4S2/c1-20-14(19)9-6-7-22-13(9)17-12(18)8-23-15-16-10-4-2-3-5-11(10)21-15/h2-7H,8H2,1H3,(H,17,18)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10E+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)

More data for this
Ligand-Target Pair