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BDBM237882 US9394282, 9-17

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

InChI Key: InChIKey=TWGKDJAUEJWZFH-VZMUKZCBSA-N

Data: 2 IC50

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 2 hits for monomerid = 237882   
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))
BDBM237882
PNG
(US9394282, 9-17)
Show SMILES C[C@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C19H21F2N5O3/c1-19(28,18(20)21)12-2-4-13(5-3-12)24-17-14(16(23)27)9-26(25-17)15-10-29-7-6-11(15)8-22/h2-5,9,11,15,18,28H,6-7,10H2,1H3,(H2,23,27)(H,24,25)/t11-,15+,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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 US9394282 (2016)


BindingDB Entry DOI: 10.7270/Q2J10233
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM237882
PNG
(US9394282, 9-17)
Show SMILES C[C@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C19H21F2N5O3/c1-19(28,18(20)21)12-2-4-13(5-3-12)24-17-14(16(23)27)9-26(25-17)15-10-29-7-6-11(15)8-22/h2-5,9,11,15,18,28H,6-7,10H2,1H3,(H2,23,27)(H,24,25)/t11-,15+,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0500n/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 US9394282 (2016)


BindingDB Entry DOI: 10.7270/Q2J10233
More data for this
Ligand-Target Pair