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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM32692'   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM32692
PNG
(2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-y...)
Show SMILES COC(=O)CSc1nnc(C)n1-c1cccc(OC)c1
Show InChI InChI=1S/C13H15N3O3S/c1-9-14-15-13(20-8-12(17)19-3)16(9)10-5-4-6-11(7-10)18-2/h4-7H,8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.36E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W957K6
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM32692
PNG
(2-[[4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-y...)
Show SMILES COC(=O)CSc1nnc(C)n1-c1cccc(OC)c1
Show InChI InChI=1S/C13H15N3O3S/c1-9-14-15-13(20-8-12(17)19-3)16(9)10-5-4-6-11(7-10)18-2/h4-7H,8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.36E+3n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2N29V8J
More data for this
Ligand-Target Pair