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BDBM50323768 (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE::(S)-enastron::CHEMBL1213954

SMILES: Oc1cccc(c1)[C@@H]1NC(=S)N=C2CCCC(=O)C12

InChI Key: InChIKey=PBBDLMCRRYZXJU-ABLWVSNPSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50323768   
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
Kinesin-like protein 1


(Homo sapiens)
BDBM50323768
PNG
((S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAH...)
Show SMILES Oc1cccc(c1)[C@@H]1NC(=S)N=C2CCCC(=O)C12
Show InChI InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,12-13,17H,2,5-6H2,(H,16,19)/t12?,13-/m0/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Eur J Med Chem 62: 614-31 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein 1


(Homo sapiens)
BDBM50323768
PNG
((S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAH...)
Show SMILES Oc1cccc(c1)[C@@H]1NC(=S)N=C2CCCC(=O)C12
Show InChI InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,12-13,17H,2,5-6H2,(H,16,19)/t12?,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human kinesin Eg5


J Med Chem 53: 5676-83 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)