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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50154889   
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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50154889
PNG
(CHEMBL3774783 | US10273244, Example 120 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3
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n/an/a 980n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50154889
PNG
(CHEMBL3774783 | US10273244, Example 120 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50154889
PNG
(CHEMBL3774783 | US10273244, Example 120 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1
Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3
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Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair