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BDBM59159 6190013

SMILES: [#8-]-[#7+](=O)-c1cc(Cl)c(cc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1

InChI Key: InChIKey=JJACNKUPQDIRNF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 59159   
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))
BDBM59159
PNG
(6190013)
Show SMILES [O-][N+](=O)c1cc(Cl)c(cc1Cl)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C15H7Cl2N3O5S/c16-9-5-11(20(23)24)10(17)4-7(9)12-2-1-6(25-12)3-8-13(21)18-15(26)19-14(8)22/h1-5H,(H2,18,19,21,22,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.48E+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))
BDBM59159
PNG
(6190013)
Show SMILES [O-][N+](=O)c1cc(Cl)c(cc1Cl)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C15H7Cl2N3O5S/c16-9-5-11(20(23)24)10(17)4-7(9)12-2-1-6(25-12)3-8-13(21)18-15(26)19-14(8)22/h1-5H,(H2,18,19,21,22,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.50E+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))
BDBM59159
PNG
(6190013)
Show SMILES [O-][N+](=O)c1cc(Cl)c(cc1Cl)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C15H7Cl2N3O5S/c16-9-5-11(20(23)24)10(17)4-7(9)12-2-1-6(25-12)3-8-13(21)18-15(26)19-14(8)22/h1-5H,(H2,18,19,21,22,26)
PDB

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.11E+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