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BDBM331101 US9725445, 15-46

SMILES: COCC(C)(C)CN1Cc2cc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O

InChI Key: InChIKey=TUWNULBHLRPYLF-GHTZIAJQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 331101   
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))
BDBM331101
PNG
(US9725445, 15-46)
Show SMILES COCC(C)(C)CN1Cc2cc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C27H34N6O4S/c1-27(2,17-37-3)16-32-15-19-13-20(9-10-23(19)38(32,35)36)30-25-24-22(11-12-29-26(24)34)33(31-25)21-8-6-4-5-7-18(21)14-28/h9-13,18,21H,4-8,15-17H2,1-3H3,(H,29,34)(H,30,31)/t18-,21+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 460n/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 US9725445 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM331101
PNG
(US9725445, 15-46)
Show SMILES COCC(C)(C)CN1Cc2cc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C27H34N6O4S/c1-27(2,17-37-3)16-32-15-19-13-20(9-10-23(19)38(32,35)36)30-25-24-22(11-12-29-26(24)34)33(31-25)21-8-6-4-5-7-18(21)14-28/h9-13,18,21H,4-8,15-17H2,1-3H3,(H,29,34)(H,30,31)/t18-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 76n/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 US9725445 (2017)

More data for this
Ligand-Target Pair