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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50093317   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine protease 1


(Homo sapiens (Human))
BDBM50093317
PNG
(3-[4-(5-Amino-pentyl)-3-oxo-3,4-dihydro-2H-benzo[1...)
Show SMILES NCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C20H24N4O2/c21-11-4-1-5-12-24-16-9-2-3-10-17(16)26-18(20(24)25)14-7-6-8-15(13-14)19(22)23/h2-3,6-10,13,18H,1,4-5,11-12,21H2,(H3,22,23)
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PC cid
PC sid
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PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against trypsin


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093317
PNG
(3-[4-(5-Amino-pentyl)-3-oxo-3,4-dihydro-2H-benzo[1...)
Show SMILES NCCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N
Show InChI InChI=1S/C20H24N4O2/c21-11-4-1-5-12-24-16-9-2-3-10-17(16)26-18(20(24)25)14-7-6-8-15(13-14)19(22)23/h2-3,6-10,13,18H,1,4-5,11-12,21H2,(H3,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


J Med Chem 43: 4063-70 (2000)


BindingDB Entry DOI: 10.7270/Q2W66K1H
More data for this
Ligand-Target Pair