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BDBM32980 2,2-bis(chloranyl)-N-[6-(2-cyanoethyl)cyclohexen-1-yl]-N-(phenylmethyl)ethanamide::2,2-dichloro-N-[6-(2-cyanoethyl)-1-cyclohexenyl]-N-(phenylmethyl)acetamide::MLS001049296::N-Benzyl-2,2-dichloro-N-[6-(2-cyano-ethyl)-cyclohex-1-enyl]-acetamide::N-benzyl-2,2-dichloro-N-[6-(2-cyanoethyl)cyclohexen-1-yl]acetamide::SMR000427669::cid_3556865

SMILES: ClC(Cl)C(=O)N(Cc1ccccc1)C1=CCCCC1CCC#N

InChI Key: InChIKey=BMUVJZGNCCIHSL-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32980   
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 XI


(Homo sapiens (Human))
BDBM32980
PNG
(2,2-bis(chloranyl)-N-[6-(2-cyanoethyl)cyclohexen-1...)
Show SMILES ClC(Cl)C(=O)N(Cc1ccccc1)C1=CCCCC1CCC#N
Show InChI InChI=1S/C18H20Cl2N2O/c19-17(20)18(23)22(13-14-7-2-1-3-8-14)16-11-5-4-9-15(16)10-6-12-21/h1-3,7-8,11,15,17H,4-6,9-10,13H2
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MMDB

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PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1080/14756360310001650200
BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair