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BDBM50335235 4-{3-[4-(1H-Indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-4-trifluoromethyl-phenyl}-piperazine-1-carbaldehyde::CHEMBL1650955

SMILES: FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C=O

InChI Key: InChIKey=IKLXBNGCTJXQCF-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50335235   
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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50335235
PNG
(4-{3-[4-(1H-Indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-p...)
Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C=O
Show InChI InChI=1S/C24H19F3N4O3/c25-24(26,27)18-6-5-14(31-9-7-30(13-32)8-10-31)11-16(18)20-21(23(34)29-22(20)33)17-12-28-19-4-2-1-3-15(17)19/h1-6,11-13,28H,7-10H2,(H,29,33,34)
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Article
PubMed
n/an/a 754n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Jak1 expressed in insect cells using 70 uM ATP


J Med Chem 54: 284-8 (2011)


Article DOI: 10.1021/jm101157q
BindingDB Entry DOI: 10.7270/Q2BP03S5
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50335235
PNG
(4-{3-[4-(1H-Indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-p...)
Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C=O
Show InChI InChI=1S/C24H19F3N4O3/c25-24(26,27)18-6-5-14(31-9-7-30(13-32)8-10-31)11-16(18)20-21(23(34)29-22(20)33)17-12-28-19-4-2-1-3-15(17)19/h1-6,11-13,28H,7-10H2,(H,29,33,34)
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PubMed
n/an/a 5.04E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Tyk2 expressed in insect cells using 35 uM ATP


J Med Chem 54: 284-8 (2011)


Article DOI: 10.1021/jm101157q
BindingDB Entry DOI: 10.7270/Q2BP03S5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50335235
PNG
(4-{3-[4-(1H-Indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-p...)
Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C=O
Show InChI InChI=1S/C24H19F3N4O3/c25-24(26,27)18-6-5-14(31-9-7-30(13-32)8-10-31)11-16(18)20-21(23(34)29-22(20)33)17-12-28-19-4-2-1-3-15(17)19/h1-6,11-13,28H,7-10H2,(H,29,33,34)
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n/an/a 36n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Jak3 expressed in insect cells using 18 uM ATP


J Med Chem 54: 284-8 (2011)


Article DOI: 10.1021/jm101157q
BindingDB Entry DOI: 10.7270/Q2BP03S5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50335235
PNG
(4-{3-[4-(1H-Indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-p...)
Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C=O
Show InChI InChI=1S/C24H19F3N4O3/c25-24(26,27)18-6-5-14(31-9-7-30(13-32)8-10-31)11-16(18)20-21(23(34)29-22(20)33)17-12-28-19-4-2-1-3-15(17)19/h1-6,11-13,28H,7-10H2,(H,29,33,34)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Jak2 expressed in insect cells using 20 uM ATP


J Med Chem 54: 284-8 (2011)


Article DOI: 10.1021/jm101157q
BindingDB Entry DOI: 10.7270/Q2BP03S5
More data for this
Ligand-Target Pair