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BDBM291282 US10280174, Compound A::US9580432, Example 13

SMILES: Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=WUMMDJMYFAWMBN-GFCCVEGCSA-N

Data: 4 IC50

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

Found 4 hits for monomerid = 291282   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291282
PNG
(US10280174, Compound A | US9580432, Example 13)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H20N8O3/c1-2-15(30)28-9-5-6-12(10-28)29-19-16(18(22)23-11-24-19)17(27-29)20(31)26-21-25-13-7-3-4-8-14(13)32-21/h2-4,7-8,11-12H,1,5-6,9-10H2,(H2,22,23,24)(H,25,26,31)/t12-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.813n/an/an/an/a7.5n/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0WZR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM291282
PNG
(US10280174, Compound A | US9580432, Example 13)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H20N8O3/c1-2-15(30)28-9-5-6-12(10-28)29-19-16(18(22)23-11-24-19)17(27-29)20(31)26-21-25-13-7-3-4-8-14(13)32-21/h2-4,7-8,11-12H,1,5-6,9-10H2,(H2,22,23,24)(H,25,26,31)/t12-/m1/s1
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US Patent
n/an/a 16.9n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US10280174 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20K3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291282
PNG
(US10280174, Compound A | US9580432, Example 13)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H20N8O3/c1-2-15(30)28-9-5-6-12(10-28)29-19-16(18(22)23-11-24-19)17(27-29)20(31)26-21-25-13-7-3-4-8-14(13)32-21/h2-4,7-8,11-12H,1,5-6,9-10H2,(H2,22,23,24)(H,25,26,31)/t12-/m1/s1
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n/an/a 1.19n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
In a condition set for a method of measuring inhibitory activity in vitro of the compounds against BTK kinase activity, FL-Peptide 2 was used as a su...


US Patent US10280174 (2019)


BindingDB Entry DOI: 10.7270/Q26Q20K3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM291282
PNG
(US10280174, Compound A | US9580432, Example 13)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H20N8O3/c1-2-15(30)28-9-5-6-12(10-28)29-19-16(18(22)23-11-24-19)17(27-29)20(31)26-21-25-13-7-3-4-8-14(13)32-21/h2-4,7-8,11-12H,1,5-6,9-10H2,(H2,22,23,24)(H,25,26,31)/t12-/m1/s1
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US Patent
n/an/a 28.8n/an/an/an/a7.525



Taiho Pharmaceutical Co., Ltd

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0WZR
More data for this
Ligand-Target Pair