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BDBM147758 US8962608, 28-76

SMILES: C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CCC2)cc1)C(F)(F)F

InChI Key: InChIKey=ULCJJWMOPWEMQM-LPZXAVJZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 147758   
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))
BDBM147758
PNG
(US8962608, 28-76)
Show SMILES C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N6O2/c1-22(34,23(24,25)26)15-3-5-16(6-4-15)29-21-18(20(28)33)13-32(30-21)19-8-7-17(11-14(19)12-27)31-9-2-10-31/h3-6,13-14,17,19,34H,2,7-11H2,1H3,(H2,28,33)(H,29,30)/t14-,17-,19+,22-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM147758
PNG
(US8962608, 28-76)
Show SMILES C[C@@](O)(c1ccc(Nc2nn(cc2C(N)=O)[C@H]2CC[C@H](C[C@@H]2C#N)N2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N6O2/c1-22(34,23(24,25)26)15-3-5-16(6-4-15)29-21-18(20(28)33)13-32(30-21)19-8-7-17(11-14(19)12-27)31-9-2-10-31/h3-6,13-14,17,19,34H,2,7-11H2,1H3,(H2,28,33)(H,29,30)/t14-,17-,19+,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.0400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US8962608 (2015)


BindingDB Entry DOI: 10.7270/Q2J101W0
More data for this
Ligand-Target Pair