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SMILES: COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12

InChI Key: InChIKey=ZKIGAFPVFDLLDE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 153678   
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))
BDBM153678
PNG
(US8999998, 499)
Show SMILES COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31)
PDB

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PC sid
UniChem
US Patent
1.60n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153678
PNG
(US8999998, 499)
Show SMILES COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31)
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US Patent
5.80n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153678
PNG
(US8999998, 499)
Show SMILES COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
14n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153678
PNG
(US8999998, 499)
Show SMILES COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31)
PDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
780n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK3 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Leu-Pro-Leu-Asp-Lys-Asp-Ty...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair