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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50447850   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50447850
PNG
(CHEMBL3114559)
Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
Show InChI InChI=1S/C20H30ClN3O3/c1-20(2,3)17(25)19(27)24-9-5-4-6-16(24)18(26)23-12-14-10-15(21)8-7-13(14)11-22/h7-8,10,16-17,25H,4-6,9,11-12,22H2,1-3H3,(H,23,26)/t16-,17-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 24: 1111-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM50447850
PNG
(CHEMBL3114559)
Show SMILES CC(C)(C)[C@@H](O)C(=O)N1CCCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN
Show InChI InChI=1S/C20H30ClN3O3/c1-20(2,3)17(25)19(27)24-9-5-4-6-16(24)18(26)23-12-14-10-15(21)8-7-13(14)11-22/h7-8,10,16-17,25H,4-6,9,11-12,22H2,1-3H3,(H,23,26)/t16-,17-/m0/s1
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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of factor 12a (unknown origin)


Bioorg Med Chem Lett 24: 1111-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.002
BindingDB Entry DOI: 10.7270/Q2ZC84B8
More data for this
Ligand-Target Pair