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SMILES: COc1cc(cc(I)c1CCC#C)C#N

InChI Key: InChIKey=QWQDQXHBXOAUGB-UHFFFAOYSA-N

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 = 81746   
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 alpha-1A chain


(Sus scrofa (Pig))
BDBM81746
PNG
(Chembridge No 7992831, 5)
Show SMILES COc1cc(cc(I)c1CCC#C)C#N
Show InChI InChI=1S/C12H10INO/c1-3-4-5-10-11(13)6-9(8-14)7-12(10)15-2/h1,6-7H,4-5H2,2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+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
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81746
PNG
(Chembridge No 7992831, 5)
Show SMILES COc1cc(cc(I)c1CCC#C)C#N
Show InChI InChI=1S/C12H10INO/c1-3-4-5-10-11(13)6-9(8-14)7-12(10)15-2/h1,6-7H,4-5H2,2H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+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