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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 = 'BDBM32662'   
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))
BDBM32662
PNG
(MLS000074201 | N,N-Dicyclohexyl-2-(1-methyl-1H-tet...)
Show SMILES Cn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C16H27N5OS/c1-20-16(17-18-19-20)23-12-15(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-12H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/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))
BDBM32662
PNG
(MLS000074201 | N,N-Dicyclohexyl-2-(1-methyl-1H-tet...)
Show SMILES Cn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C16H27N5OS/c1-20-16(17-18-19-20)23-12-15(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/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