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BDBM232631 US9346815, 177::US9604984, Example 177

SMILES: CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F

InChI Key: InChIKey=YRCARAFDWIAWJL-UHFFFAOYSA-N

Data: 4 KI

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 = 232631   
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 JAK2


(Homo sapiens (Human))
BDBM232631
PNG
(US9346815, 177 | US9604984, Example 177)
Show SMILES CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H29ClF2N8O4S/c1-42(39,40)13-3-9-35-11-6-17(7-12-35)37-15-19(22(33-37)18-14-16(27)4-5-20(18)41-26(28)29)32-25(38)21-23(30)34-36-10-2-8-31-24(21)36/h2,4-5,8,10,14-15,17,26H,3,6-7,9,11-13H2,1H3,(H2,30,34)(H,32,38)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.0900 -13.6n/an/an/an/an/a7.222



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232631
PNG
(US9346815, 177 | US9604984, Example 177)
Show SMILES CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H29ClF2N8O4S/c1-42(39,40)13-3-9-35-11-6-17(7-12-35)37-15-19(22(33-37)18-14-16(27)4-5-20(18)41-26(28)29)32-25(38)21-23(30)34-36-10-2-8-31-24(21)36/h2,4-5,8,10,14-15,17,26H,3,6-7,9,11-13H2,1H3,(H2,30,34)(H,32,38)
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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
0.0900n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9604984 (2017)


BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232631
PNG
(US9346815, 177 | US9604984, Example 177)
Show SMILES CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H29ClF2N8O4S/c1-42(39,40)13-3-9-35-11-6-17(7-12-35)37-15-19(22(33-37)18-14-16(27)4-5-20(18)41-26(28)29)32-25(38)21-23(30)34-36-10-2-8-31-24(21)36/h2,4-5,8,10,14-15,17,26H,3,6-7,9,11-13H2,1H3,(H2,30,34)(H,32,38)
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PC sid
UniChem
US Patent
0.450n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9604984 (2017)


BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM232631
PNG
(US9346815, 177 | US9604984, Example 177)
Show SMILES CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H29ClF2N8O4S/c1-42(39,40)13-3-9-35-11-6-17(7-12-35)37-15-19(22(33-37)18-14-16(27)4-5-20(18)41-26(28)29)32-25(38)21-23(30)34-36-10-2-8-31-24(21)36/h2,4-5,8,10,14-15,17,26H,3,6-7,9,11-13H2,1H3,(H2,30,34)(H,32,38)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.450 -12.6n/an/an/an/an/a7.222



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair