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BDBM59161 5738875

SMILES: FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O

InChI Key: InChIKey=XPCCVJDPJDATRG-XFFZJAGNSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 59161   
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
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59161
PNG
(5738875)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O
Show InChI InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-
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PC sid
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Article
PubMed
n/an/a 5.65E+3n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59161
PNG
(5738875)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O
Show InChI InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.00E+3n/an/an/an/a7.9n/a



University of Washington



Assay Description
Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59161
PNG
(5738875)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O
Show InChI InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.83E+3n/an/an/an/a8.0n/a



University of Washington



Assay Description
Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair