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BDBM279832 US10028960, Example 1-15

SMILES: COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1cccnc1

InChI Key: InChIKey=NMBAQQCSTVSABY-BCDXTJNWSA-N

Data: 4 KI

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 4 hits for monomerid = 279832   
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))
BDBM279832
PNG
(US10028960, Example 1-15)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C23H30N8O4S/c1-30(23-26-20(12-22(27-23)35-2)25-21-9-15(14-32)28-29-21)18-10-16-5-3-6-17(11-18)31(16)36(33,34)19-7-4-8-24-13-19/h4,7-9,12-13,16-18,32H,3,5-6,10-11,14H2,1-2H3,(H2,25,26,27,28,29)/t16-,17+,18-
PDB

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<0.100n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10028960 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279832
PNG
(US10028960, Example 1-15)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C23H30N8O4S/c1-30(23-26-20(12-22(27-23)35-2)25-21-9-15(14-32)28-29-21)18-10-16-5-3-6-17(11-18)31(16)36(33,34)19-7-4-8-24-13-19/h4,7-9,12-13,16-18,32H,3,5-6,10-11,14H2,1-2H3,(H2,25,26,27,28,29)/t16-,17+,18-
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10028960 (2018)

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


(Homo sapiens (Human))
BDBM279832
PNG
(US10028960, Example 1-15)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C23H30N8O4S/c1-30(23-26-20(12-22(27-23)35-2)25-21-9-15(14-32)28-29-21)18-10-16-5-3-6-17(11-18)31(16)36(33,34)19-7-4-8-24-13-19/h4,7-9,12-13,16-18,32H,3,5-6,10-11,14H2,1-2H3,(H2,25,26,27,28,29)/t16-,17+,18-
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.550n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10028960 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM279832
PNG
(US10028960, Example 1-15)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C23H30N8O4S/c1-30(23-26-20(12-22(27-23)35-2)25-21-9-15(14-32)28-29-21)18-10-16-5-3-6-17(11-18)31(16)36(33,34)19-7-4-8-24-13-19/h4,7-9,12-13,16-18,32H,3,5-6,10-11,14H2,1-2H3,(H2,25,26,27,28,29)/t16-,17+,18-
PDB

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US Patent
5.5n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10028960 (2018)

More data for this
Ligand-Target Pair