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Compile Data Set for Download or QSAR

Found 931 hits with Last Name = 'kelly' and Initial = 'ta'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481131
PNG
(US10906896, Cpd 8300 | US10906896, Cpd 832 | US117...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccn(C)n3)c2)CC1
Show InChI InChI=1S/C33H35N9O/c1-23-4-9-28(36-32(43)25-7-5-24(6-8-25)22-42-16-14-40(2)15-17-42)19-31(23)38-33-35-12-10-29(37-33)26-18-27(21-34-20-26)30-11-13-41(3)39-30/h4-13,18-21H,14-17,22H2,1-3H3,(H,36,43)(H,35,37,38)
PDB

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4n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481115
PNG
(US10906896, Cpd 119)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cn[nH]c3C)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H38N12O2/c1-23-4-9-29(41-35(50)26-7-5-25(6-8-26)22-49-14-12-48(3)13-15-49)17-31(23)44-37-39-11-10-30(43-37)27-16-28(20-38-19-27)32-18-33(47-46-32)36(51)42-34-21-40-45-24(34)2/h4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,40,45)(H,41,50)(H,42,51)(H,39,43,44)
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4n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481138
PNG
(US10906896, Cpd 8200 | US11725005, Compound 8200)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cnsc3)c2)CC1
Show InChI InChI=1S/C32H32N8OS/c1-22-3-8-28(36-31(41)24-6-4-23(5-7-24)20-40-13-11-39(2)12-14-40)16-30(22)38-32-34-10-9-29(37-32)26-15-25(17-33-18-26)27-19-35-42-21-27/h3-10,15-19,21H,11-14,20H2,1-2H3,(H,36,41)(H,34,37,38)
PDB

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4.30n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481143
PNG
(US10906896, Cpd 8270 | US11725005, Compound 8270)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nccs3)c2)CC1
Show InChI InChI=1S/C32H32N8OS/c1-22-3-8-27(36-30(41)24-6-4-23(5-7-24)21-40-14-12-39(2)13-15-40)18-29(22)38-32-35-10-9-28(37-32)25-17-26(20-33-19-25)31-34-11-16-42-31/h3-11,16-20H,12-15,21H2,1-2H3,(H,36,41)(H,35,37,38)
PDB

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4.90n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481131
PNG
(US10906896, Cpd 8300 | US10906896, Cpd 832 | US117...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccn(C)n3)c2)CC1
Show InChI InChI=1S/C33H35N9O/c1-23-4-9-28(36-32(43)25-7-5-24(6-8-25)22-42-16-14-40(2)15-17-42)19-31(23)38-33-35-12-10-29(37-33)26-18-27(21-34-20-26)30-11-13-41(3)39-30/h4-13,18-21H,14-17,22H2,1-3H3,(H,36,43)(H,35,37,38)
PDB

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5.20n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481145
PNG
(US10906896, Cpd 8290 | US11725005, Compound 8290)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nc(C)cs3)c2)CC1
Show InChI InChI=1S/C33H34N8OS/c1-22-4-9-28(37-31(42)25-7-5-24(6-8-25)20-41-14-12-40(3)13-15-41)17-30(22)39-33-35-11-10-29(38-33)26-16-27(19-34-18-26)32-36-23(2)21-43-32/h4-11,16-19,21H,12-15,20H2,1-3H3,(H,37,42)(H,35,38,39)
PDB

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5.70n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481113
PNG
(US10906896, Cpd 117)
Show SMILES CN(C)C(=O)c1cc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)[nH]n1 |c:13,t:11|
Show InChI InChI=1S/C39H41N13O3/c1-24-5-10-29(42-36(53)26-8-6-25(7-9-26)23-52-15-13-51(4)14-16-52)18-31(24)44-39-41-12-11-30(43-39)27-17-28(22-40-21-27)32-19-33(47-46-32)37(54)45-35-20-34(48-49-35)38(55)50(2)3/h5-12,17-18,20-22H,13-16,19,23H2,1-4H3,(H,42,53)(H,41,43,44)(H2,45,48,49,54)
PDB

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5.70n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481125
PNG
(US10906896, Cpd 404)
Show SMILES COc1cccc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)c1 |c:12,t:10|
Show InChI InChI=1S/C40H40N10O3/c1-26-7-12-32(43-38(51)28-10-8-27(9-11-28)25-50-17-15-49(2)16-18-50)21-35(26)46-40-42-14-13-34(45-40)29-19-30(24-41-23-29)36-22-37(48-47-36)39(52)44-31-5-4-6-33(20-31)53-3/h4-14,19-21,23-24H,15-18,22,25H2,1-3H3,(H,43,51)(H,44,52)(H,42,45,46)
PDB

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5.80n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481126
PNG
(US10906896, Cpd 405)
Show SMILES COc1ccc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)cc1 |c:11,t:9|
Show InChI InChI=1S/C40H40N10O3/c1-26-4-9-32(44-38(51)28-7-5-27(6-8-28)25-50-18-16-49(2)17-19-50)21-35(26)46-40-42-15-14-34(45-40)29-20-30(24-41-23-29)36-22-37(48-47-36)39(52)43-31-10-12-33(53-3)13-11-31/h4-15,20-21,23-24H,16-19,22,25H2,1-3H3,(H,43,52)(H,44,51)(H,42,45,46)
PDB

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5.90n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481130
PNG
(US10906896, Cpd 830 | US11725005, Compound 830)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(C)ccn3)c2)CC1
Show InChI InChI=1S/C35H36N8O/c1-24-10-12-37-33(18-24)29-19-28(21-36-22-29)31-11-13-38-35(40-31)41-32-20-30(9-4-25(32)2)39-34(44)27-7-5-26(6-8-27)23-43-16-14-42(3)15-17-43/h4-13,18-22H,14-17,23H2,1-3H3,(H,39,44)(H,38,40,41)
PDB

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6n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481144
PNG
(US10906896, Cpd 8280 | US11725005, Compound 8280)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ncc(C)s3)c2)CC1
Show InChI InChI=1S/C33H34N8OS/c1-22-4-9-28(37-31(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)17-30(22)39-33-35-11-10-29(38-33)26-16-27(20-34-19-26)32-36-18-23(2)43-32/h4-11,16-20H,12-15,21H2,1-3H3,(H,37,42)(H,35,38,39)
PDB

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6.20n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481105
PNG
(US10906896, Cpd 102)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccccn3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C38H37N11O2/c1-25-6-11-30(42-36(50)27-9-7-26(8-10-27)24-49-17-15-48(2)16-18-49)20-32(25)44-38-41-14-12-31(43-38)28-19-29(23-39-22-28)33-21-34(47-46-33)37(51)45-35-5-3-4-13-40-35/h3-14,19-20,22-23H,15-18,21,24H2,1-2H3,(H,42,50)(H,40,45,51)(H,41,43,44)
PDB

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6.70n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481104
PNG
(US10906896, Cpd 101)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cccnc3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C38H37N11O2/c1-25-5-10-30(42-36(50)27-8-6-26(7-9-27)24-49-16-14-48(2)15-17-49)19-33(25)45-38-41-13-11-32(44-38)28-18-29(22-40-21-28)34-20-35(47-46-34)37(51)43-31-4-3-12-39-23-31/h3-13,18-19,21-23H,14-17,20,24H2,1-2H3,(H,42,50)(H,43,51)(H,41,44,45)
PDB

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6.80n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481107
PNG
(US10906896, Cpd 107)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccn[nH]3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C36H36N12O2/c1-23-3-8-28(40-34(49)25-6-4-24(5-7-25)22-48-15-13-47(2)14-16-48)18-30(23)42-36-38-11-9-29(41-36)26-17-27(21-37-20-26)31-19-32(45-44-31)35(50)43-33-10-12-39-46-33/h3-12,17-18,20-21H,13-16,19,22H2,1-2H3,(H,40,49)(H,38,41,42)(H2,39,43,46,50)
PDB

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7.20n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481108
PNG
(US10906896, Cpd 108)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3[nH]ncc3C)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H38N12O2/c1-23-4-9-29(41-35(50)26-7-5-25(6-8-26)22-49-14-12-48(3)13-15-49)17-31(23)43-37-39-11-10-30(42-37)27-16-28(21-38-20-27)32-18-33(46-45-32)36(51)44-34-24(2)19-40-47-34/h4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,41,50)(H,39,42,43)(H2,40,44,47,51)
PDB

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7.40n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481109
PNG
(US10906896, Cpd 113)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(C)n[nH]3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H38N12O2/c1-23-4-9-29(40-35(50)26-7-5-25(6-8-26)22-49-14-12-48(3)13-15-49)18-31(23)42-37-39-11-10-30(41-37)27-17-28(21-38-20-27)32-19-33(46-45-32)36(51)43-34-16-24(2)44-47-34/h4-11,16-18,20-21H,12-15,19,22H2,1-3H3,(H,40,50)(H,39,41,42)(H2,43,44,47,51)
PDB

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7.5n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481106
PNG
(US10906896, Cpd 103)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccnc(C)c3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C39H39N11O2/c1-25-4-9-31(43-37(51)28-7-5-27(6-8-28)24-50-16-14-49(3)15-17-50)20-34(25)46-39-42-13-11-33(45-39)29-19-30(23-40-22-29)35-21-36(48-47-35)38(52)44-32-10-12-41-26(2)18-32/h4-13,18-20,22-23H,14-17,21,24H2,1-3H3,(H,43,51)(H,41,44,52)(H,42,45,46)
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7.70n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481128
PNG
(US10906896, Cpd 809 | US11725005, Compound 809)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3oncc3C)c2)CC1
Show InChI InChI=1S/C33H34N8O2/c1-22-4-9-28(37-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)17-30(22)39-33-35-11-10-29(38-33)26-16-27(20-34-19-26)31-23(2)18-36-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,37,42)(H,35,38,39)
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7.80n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481114
PNG
(US10906896, Cpd 118)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cn[nH]c3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C36H36N12O2/c1-23-3-8-28(41-34(49)25-6-4-24(5-7-25)22-48-13-11-47(2)12-14-48)16-31(23)44-36-38-10-9-30(43-36)26-15-27(19-37-18-26)32-17-33(46-45-32)35(50)42-29-20-39-40-21-29/h3-10,15-16,18-21H,11-14,17,22H2,1-2H3,(H,39,40)(H,41,49)(H,42,50)(H,38,43,44)
PDB

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8.40n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481111
PNG
(US10906896, Cpd 115)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(n[nH]3)C(N)=O)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H37N13O3/c1-22-3-8-27(41-35(52)24-6-4-23(5-7-24)21-50-13-11-49(2)12-14-50)16-29(22)43-37-40-10-9-28(42-37)25-15-26(20-39-19-25)30-17-32(47-45-30)36(53)44-33-18-31(34(38)51)46-48-33/h3-10,15-16,18-20H,11-14,17,21H2,1-2H3,(H2,38,51)(H,41,52)(H,40,42,43)(H2,44,46,48,53)
PDB

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8.90n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481121
PNG
(US10906896, Cpd 305)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)N3CCCC3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H40N10O2/c1-25-5-10-30(40-35(48)27-8-6-26(7-9-27)24-46-17-15-45(2)16-18-46)20-32(25)42-37-39-12-11-31(41-37)28-19-29(23-38-22-28)33-21-34(44-43-33)36(49)47-13-3-4-14-47/h5-12,19-20,22-23H,3-4,13-18,21,24H2,1-2H3,(H,40,48)(H,39,41,42)
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9.20n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481137
PNG
(US10906896, Cpd 8190 | US11725005, Compound 8190)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(C)ns3)c2)CC1
Show InChI InChI=1S/C33H34N8OS/c1-22-4-9-28(36-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)18-30(22)38-33-35-11-10-29(37-33)26-17-27(20-34-19-26)31-16-23(2)39-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,36,42)(H,35,37,38)
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9.70n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481129
PNG
(US10906896, Cpd 820 | US11725005, Compound 820)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccc(C)cn3)c2)CC1
Show InChI InChI=1S/C35H36N8O/c1-24-4-11-31(38-20-24)28-18-29(22-36-21-28)32-12-13-37-35(40-32)41-33-19-30(10-5-25(33)2)39-34(44)27-8-6-26(7-9-27)23-43-16-14-42(3)15-17-43/h4-13,18-22H,14-17,23H2,1-3H3,(H,39,44)(H,37,40,41)
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10n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481135
PNG
(BDBM481139 | US10906896, Cpd 8170 | US11725005, Co...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccns3)c2)CC1
Show InChI InChI=1S/C32H32N8OS/c1-22-3-8-27(36-31(41)24-6-4-23(5-7-24)21-40-15-13-39(2)14-16-40)18-29(22)38-32-34-11-9-28(37-32)25-17-26(20-33-19-25)30-10-12-35-42-30/h3-12,17-20H,13-16,21H2,1-2H3,(H,36,41)(H,34,37,38)
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11n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481124
PNG
(US10906896, Cpd 402)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccc(C)cc3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C40H40N10O2/c1-26-4-11-32(12-5-26)43-39(52)37-22-36(47-48-37)31-20-30(23-41-24-31)34-14-15-42-40(45-34)46-35-21-33(13-6-27(35)2)44-38(51)29-9-7-28(8-10-29)25-50-18-16-49(3)17-19-50/h4-15,20-21,23-24H,16-19,22,25H2,1-3H3,(H,43,52)(H,44,51)(H,42,45,46)
PDB

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11.1n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481112
PNG
(US10906896, Cpd 116)
Show SMILES CNC(=O)c1cc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)[nH]n1 |c:12,t:10|
Show InChI InChI=1S/C38H39N13O3/c1-23-4-9-28(42-35(52)25-7-5-24(6-8-25)22-51-14-12-50(3)13-15-51)17-30(23)44-38-41-11-10-29(43-38)26-16-27(21-40-20-26)31-18-32(47-46-31)37(54)45-34-19-33(48-49-34)36(53)39-2/h4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,39,53)(H,42,52)(H,41,43,44)(H2,45,48,49,54)
PDB

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11.6n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481132
PNG
(US10906896, Cpd 880 | US11725005, Compound 880)
Show SMILES Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(n1)-c1cncc(c1)-c1ccccn1
Show InChI InChI=1S/C33H32N8O/c1-23-5-10-28(38-32(42)25-8-6-24(7-9-25)22-41-16-14-34-15-17-41)19-31(23)40-33-37-13-11-30(39-33)27-18-26(20-35-21-27)29-4-2-3-12-36-29/h2-13,18-21,34H,14-17,22H2,1H3,(H,38,42)(H,37,39,40)
PDB

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12n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481119
PNG
(US10906896, Cpd 207)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(C)no3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H37N11O3/c1-23-4-9-29(40-35(49)26-7-5-25(6-8-26)22-48-14-12-47(3)13-15-48)18-31(23)42-37-39-11-10-30(41-37)27-17-28(21-38-20-27)32-19-33(45-44-32)36(50)43-34-16-24(2)46-51-34/h4-11,16-18,20-21H,12-15,19,22H2,1-3H3,(H,40,49)(H,43,50)(H,39,41,42)
PDB

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12.2n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481123
PNG
(US10906896, Cpd 401)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cccc(C)c3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C40H40N10O2/c1-26-5-4-6-32(19-26)44-39(52)37-22-36(47-48-37)31-20-30(23-41-24-31)34-13-14-42-40(45-34)46-35-21-33(12-7-27(35)2)43-38(51)29-10-8-28(9-11-29)25-50-17-15-49(3)16-18-50/h4-14,19-21,23-24H,15-18,22,25H2,1-3H3,(H,43,51)(H,44,52)(H,42,45,46)
PDB

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12.4n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481127
PNG
(US10906896, Cpd 806 | US11725005, Compound 806)
Show SMILES Cc1cc(on1)-c1cncc(c1)-c1ccnc(Nc2cc(NC(=O)c3ccc(CN4CCNCC4)cc3)ccc2C)n1
Show InChI InChI=1S/C32H32N8O2/c1-21-3-8-27(36-31(41)24-6-4-23(5-7-24)20-40-13-11-33-12-14-40)17-29(21)38-32-35-10-9-28(37-32)25-16-26(19-34-18-25)30-15-22(2)39-42-30/h3-10,15-19,33H,11-14,20H2,1-2H3,(H,36,41)(H,35,37,38)
PDB

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13n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481136
PNG
(US10906896, Cpd 8180 | US11725005, Compound 8180)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3sncc3C)c2)CC1
Show InChI InChI=1S/C33H34N8OS/c1-22-4-9-28(37-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)17-30(22)39-33-35-11-10-29(38-33)26-16-27(20-34-19-26)31-23(2)18-36-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,37,42)(H,35,38,39)
PDB

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13n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481122
PNG
(US10906896, Cpd 309)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ccccc3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C39H38N10O2/c1-26-8-13-32(43-37(50)28-11-9-27(10-12-28)25-49-18-16-48(2)17-19-49)21-34(26)45-39-41-15-14-33(44-39)29-20-30(24-40-23-29)35-22-36(47-46-35)38(51)42-31-6-4-3-5-7-31/h3-15,20-21,23-24H,16-19,22,25H2,1-2H3,(H,42,51)(H,43,50)(H,41,44,45)
PDB

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14n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481141
PNG
(US10906896, Cpd 8250 | US11725005, Compound 8250)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nncs3)c2)CC1
Show InChI InChI=1S/C31H31N9OS/c1-21-3-8-26(35-29(41)23-6-4-22(5-7-23)19-40-13-11-39(2)12-14-40)16-28(21)37-31-33-10-9-27(36-31)24-15-25(18-32-17-24)30-38-34-20-42-30/h3-10,15-18,20H,11-14,19H2,1-2H3,(H,35,41)(H,33,36,37)
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15n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481142
PNG
(US10906896, Cpd 8260 | US11725005, Compound 8260)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nnc(C)s3)c2)CC1
Show InChI InChI=1S/C32H33N9OS/c1-21-4-9-27(35-30(42)24-7-5-23(6-8-24)20-41-14-12-40(3)13-15-41)17-29(21)37-32-34-11-10-28(36-32)25-16-26(19-33-18-25)31-39-38-22(2)43-31/h4-11,16-19H,12-15,20H2,1-3H3,(H,35,42)(H,34,36,37)
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16n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481120
PNG
(US10906896, Cpd 303)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)c3nccn3)c2)CC1 |c:39,t:37|
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18.9n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481116
PNG
(US10906896, Cpd 201)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3ncco3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C36H35N11O3/c1-23-3-8-28(40-33(48)25-6-4-24(5-7-25)22-47-14-12-46(2)13-15-47)18-30(23)42-35-38-10-9-29(41-35)26-17-27(21-37-20-26)31-19-32(45-44-31)34(49)43-36-39-11-16-50-36/h3-11,16-18,20-21H,12-15,19,22H2,1-2H3,(H,40,48)(H,38,41,42)(H,39,43,49)
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19.3n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481133
PNG
(US10906896, Cpd 8120 | US11725005, Compound 8120)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nnco3)c2)CC1
Show InChI InChI=1S/C31H31N9O2/c1-21-3-8-26(35-29(41)23-6-4-22(5-7-23)19-40-13-11-39(2)12-14-40)16-28(21)37-31-33-10-9-27(36-31)24-15-25(18-32-17-24)30-38-34-20-42-30/h3-10,15-18,20H,11-14,19H2,1-2H3,(H,35,41)(H,33,36,37)
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27n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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US Patent
30.7n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481117
PNG
(US10906896, Cpd 202)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3nc(C)co3)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H37N11O3/c1-23-4-9-29(41-34(49)26-7-5-25(6-8-26)21-48-14-12-47(3)13-15-48)17-31(23)43-36-39-11-10-30(42-36)27-16-28(20-38-19-27)32-18-33(46-45-32)35(50)44-37-40-24(2)22-51-37/h4-11,16-17,19-20,22H,12-15,18,21H2,1-3H3,(H,41,49)(H,39,42,43)(H,40,44,50)
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31.1n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481110
PNG
(US10906896, Cpd 114)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(n[nH]3)C(O)=O)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H36N12O4/c1-22-3-8-27(40-34(50)24-6-4-23(5-7-24)21-49-13-11-48(2)12-14-49)16-29(22)42-37-39-10-9-28(41-37)25-15-26(20-38-19-25)30-17-31(45-44-30)35(51)43-33-18-32(36(52)53)46-47-33/h3-10,15-16,18-20H,11-14,17,21H2,1-2H3,(H,40,50)(H,52,53)(H,39,41,42)(H2,43,46,47,51)
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32.4n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481135
PNG
(BDBM481139 | US10906896, Cpd 8170 | US11725005, Co...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccns3)c2)CC1
Show InChI InChI=1S/C32H32N8OS/c1-22-3-8-27(36-31(41)24-6-4-23(5-7-24)21-40-15-13-39(2)14-16-40)18-29(22)38-32-34-11-9-28(37-32)25-17-26(20-33-19-25)30-10-12-35-42-30/h3-12,17-20H,13-16,21H2,1-2H3,(H,36,41)(H,34,37,38)
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37n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481140
PNG
(US10906896, Cpd 8240 | US11725005, Compound 8240)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3snnc3C)c2)CC1
Show InChI InChI=1S/C32H33N9OS/c1-21-4-9-27(35-31(42)24-7-5-23(6-8-24)20-41-14-12-40(3)13-15-41)17-29(21)37-32-34-11-10-28(36-32)25-16-26(19-33-18-25)30-22(2)38-39-43-30/h4-11,16-19H,12-15,20H2,1-3H3,(H,35,42)(H,34,36,37)
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39n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481134
PNG
(US10906896, Cpd 8130 | US11725005, Compound 8130)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nnc(C)o3)c2)CC1
Show InChI InChI=1S/C32H33N9O2/c1-21-4-9-27(35-30(42)24-7-5-23(6-8-24)20-41-14-12-40(3)13-15-41)17-29(21)37-32-34-11-10-28(36-32)25-16-26(19-33-18-25)31-39-38-22(2)43-31/h4-11,16-19H,12-15,20H2,1-3H3,(H,35,42)(H,34,36,37)
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44n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481118
PNG
(US10906896, Cpd 203)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3nc(co3)C(N)=O)c2)CC1 |c:39,t:37|
Show InChI InChI=1S/C37H36N12O4/c1-22-3-8-27(41-34(51)24-6-4-23(5-7-24)20-49-13-11-48(2)12-14-49)16-29(22)43-36-40-10-9-28(42-36)25-15-26(19-39-18-25)30-17-31(47-46-30)35(52)45-37-44-32(21-53-37)33(38)50/h3-10,15-16,18-19,21H,11-14,17,20H2,1-2H3,(H2,38,50)(H,41,51)(H,40,42,43)(H,44,45,52)
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47.1n/an/an/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [600-1027,P835L]/[600-1155,P835L]


(Human immunodeficiency virus type 1)
BDBM2019
PNG
(2-(6-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...)
Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C21H18N6O/c1-3-27-19-14(5-4-9-23-19)21(28)26(2)18-7-6-16(25-20(18)27)15-11-24-17-12-22-10-8-13(15)17/h4-12,24H,3H2,1-2H3
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n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.


J Med Chem 40: 2430-3 (1997)


Article DOI: 10.1021/jm960837y
BindingDB Entry DOI: 10.7270/Q2P26W9K
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481131
PNG
(US10906896, Cpd 8300 | US10906896, Cpd 832 | US117...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3ccn(C)n3)c2)CC1
Show InChI InChI=1S/C33H35N9O/c1-23-4-9-28(36-32(43)25-7-5-24(6-8-25)22-42-16-14-40(2)15-17-42)19-31(23)38-33-35-12-10-29(37-33)26-18-27(21-34-20-26)30-11-13-41(3)39-30/h4-13,18-21H,14-17,22H2,1-3H3,(H,36,43)(H,35,37,38)
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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM612785
PNG
(US11725005, Compound 119)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cn[nH]c3C)c2)CC1
PDB

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n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481138
PNG
(US10906896, Cpd 8200 | US11725005, Compound 8200)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cnsc3)c2)CC1
Show InChI InChI=1S/C32H32N8OS/c1-22-3-8-28(36-31(41)24-6-4-23(5-7-24)20-40-13-11-39(2)12-14-40)16-30(22)38-32-34-10-9-29(37-32)26-15-25(17-33-18-26)27-19-35-42-21-27/h3-10,15-19,21H,11-14,20H2,1-2H3,(H,36,41)(H,34,37,38)
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n/an/a 4.30n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM481143
PNG
(US10906896, Cpd 8270 | US11725005, Compound 8270)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3nccs3)c2)CC1
Show InChI InChI=1S/C32H32N8OS/c1-22-3-8-27(36-30(41)24-6-4-23(5-7-24)21-40-14-12-39(2)13-15-40)18-29(22)38-32-35-10-9-28(37-32)25-17-26(20-33-19-25)31-34-11-16-42-31/h3-11,16-20H,12-15,21H2,1-2H3,(H,36,41)(H,35,37,38)
PDB

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n/an/a 4.90n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM612893
PNG
(US11725005, Compound 8300)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cnn(C)c3)c2)CC1
PDB

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n/an/a 5.20n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
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