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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 351.3
BDBM211964
Wt: 351.3
BDBM211965
Wt: 349.3
BDBM211966
Wt: 339.4
BDBM223021
Wt: 325.3
BDBM223023
Wt: 341.3
BDBM223027
Wt: 342.3
BDBM176754
Wt: 350.4
BDBM176761
Wt: 322.3
BDBM176763
Wt: 322.3
BDBM176766
Wt: 298.3
BDBM176772
Wt: 268.2
BDBM176773
Wt: 331.3
BDBM176775
Wt: 301.3
BDBM176776
Wt: 339.3
BDBM176806
Displayed 1 to 15 (of 85 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM223027
PNG
(US9320737, II.4)
Show SMILES CS(=O)CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C17H15N3O3S/c1-24(21)9-8-22-17-7-6-16-18-11-13(20(16)19-17)15-10-12-4-2-3-5-14(12)23-15/h2-7,10-11H,8-9H2,1H3
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n/an/a 10n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM223021
PNG
(US9320737, I.2)
Show SMILES CSCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H17N3O2S/c1-24-10-4-9-22-18-8-7-17-19-12-14(21(17)20-18)16-11-13-5-2-3-6-15(13)23-16/h2-3,5-8,11-12H,4,9-10H2,1H3
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n/an/a 11n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM223023
PNG
(US9320737, I.4)
Show SMILES CSCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C17H15N3O2S/c1-23-9-8-21-17-7-6-16-18-11-13(20(16)19-17)15-10-12-4-2-3-5-14(12)22-15/h2-7,10-11H,8-9H2,1H3
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n/an/a 16n/an/an/an/a7.522



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 mL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM176754
PNG
(US9675612, 5 N-(6-Methoxy-1H-indazol-5-yl)-2-(meth...)
Show SMILES COCc1nc2c(Nc3cc4cn[nH]c4cc3OC)ncnc2s1
Show InChI InChI=1S/C15H14N6O2S/c1-22-6-12-20-13-14(16-7-17-15(13)24-12)19-10-3-8-5-18-21-9(8)4-11(10)23-2/h3-5,7H,6H2,1-2H3,(H,18,21)(H,16,17,19)
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n/an/a 25n/an/an/an/a7.5n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM176763
PNG
(US9675612, 9 2-(Cyclopropylmethyl)-N-(1H-indazol-5...)
Show SMILES C(C1CC1)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
Show InChI InChI=1S/C16H14N6S/c1-2-9(1)5-13-21-14-15(17-8-18-16(14)23-13)20-11-3-4-12-10(6-11)7-19-22-12/h3-4,6-9H,1-2,5H2,(H,19,22)(H,17,18,20)
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n/an/a 36n/an/an/an/a7.5n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM176772
PNG
(US9675612, 15 N-(6-Methoxy-1H-indazol-5-yl)[1,3]th...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2scnc12
Show InChI InChI=1S/C13H10N6OS/c1-20-10-3-8-7(4-17-19-8)2-9(10)18-12-11-13(15-5-14-12)21-6-16-11/h2-6H,1H3,(H,17,19)(H,14,15,18)
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n/an/a 47n/an/an/an/a7.5n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM176766
PNG
(US9675612, 10 2-Cyclobutyl-N-(1H-indazol-5-yl)[1,3...)
Show SMILES C1CC(C1)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
Show InChI InChI=1S/C16H14N6S/c1-2-9(3-1)15-21-13-14(17-8-18-16(13)23-15)20-11-4-5-12-10(6-11)7-19-22-12/h4-9H,1-3H2,(H,19,22)(H,17,18,20)
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n/an/a 54n/an/an/an/a7.5n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM176761
PNG
(US9675612, 8 2-Cyclohexyl-N-(1H-indazol-5-yl)[1,3]...)
Show SMILES C1CCC(CC1)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
Show InChI InChI=1S/C18H18N6S/c1-2-4-11(5-3-1)17-23-15-16(19-10-20-18(15)25-17)22-13-6-7-14-12(8-13)9-21-24-14/h6-11H,1-5H2,(H,21,24)(H,19,20,22)
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n/an/a 56n/an/an/an/a7.5n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM211964
PNG
(US9290482, 4)
Show SMILES C(Oc1ccc2ncc(-c3cc4cnccc4o3)n2n1)[C@H]1CNCCO1
Show InChI InChI=1S/C18H17N5O3/c1-2-18(25-11-13-9-20-5-6-24-13)22-23-14(10-21-17(1)23)16-7-12-8-19-4-3-15(12)26-16/h1-4,7-8,10,13,20H,5-6,9,11H2/t13-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM211965
PNG
(US9290482, 5)
Show SMILES C(Oc1ccc2ncc(-c3cc4ncccc4o3)n2n1)[C@H]1CNCCO1
Show InChI InChI=1S/C18H17N5O3/c1-2-15-13(20-5-1)8-16(26-15)14-10-21-17-3-4-18(22-23(14)17)25-11-12-9-19-6-7-24-12/h1-5,8,10,12,19H,6-7,9,11H2/t12-/m1/s1
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n/an/a 86n/an/an/an/a7.522



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM176775
PNG
(US9675612, 18 5-Methoxy-6-([1,3]thiazolo[5,4-d]pyr...)
Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2scnc12
Show InChI InChI=1S/C13H9N5O2S2/c1-20-8-2-7-9(22-13(19)18-7)3-6(8)17-11-10-12(15-4-14-11)21-5-16-10/h2-5H,1H3,(H,18,19)(H,14,15,17)
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n/an/a 104n/an/an/an/a7.5n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM211966
PNG
(US9290482, 6)
Show SMILES C(C[C@@H]1CCCN1)Oc1ccc2ncc(-c3cc4cnccc4o3)n2n1
Show InChI InChI=1S/C19H19N5O2/c1-2-14(21-7-1)6-9-25-19-4-3-18-22-12-15(24(18)23-19)17-10-13-11-20-8-5-16(13)26-17/h3-5,8,10-12,14,21H,1-2,6-7,9H2/t14-/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM176776
PNG
(US9675612, 19 6-([1,3]Thiazolo[5,4-d]pyrimidin-7-y...)
Show SMILES O=c1[nH]c2ccc(Nc3ncnc4scnc34)cc2s1
Show InChI InChI=1S/C12H7N5OS2/c18-12-17-7-2-1-6(3-8(7)20-12)16-10-9-11(14-4-13-10)19-5-15-9/h1-5H,(H,17,18)(H,13,14,16)
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n/an/a 159n/an/an/an/a7.5n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM176773
PNG
(US9675612, 16 N-(1H-Indazol-5-yl)[1,3]thiazolo[5,4...)
Show SMILES N(c1ccc2[nH]ncc2c1)c1ncnc2scnc12
Show InChI InChI=1S/C12H8N6S/c1-2-9-7(4-16-18-9)3-8(1)17-11-10-12(14-5-13-11)19-6-15-10/h1-6H,(H,16,18)(H,13,14,17)
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n/an/a 186n/an/an/an/a7.5n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM176806
PNG
(US9675612, 43 7-(1H-Indazol-5-ylamino)-N,N-dimethy...)
Show SMILES CN(C)C(=O)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
Show InChI InChI=1S/C15H13N7OS/c1-22(2)15(23)14-20-11-12(16-7-17-13(11)24-14)19-9-3-4-10-8(5-9)6-18-21-10/h3-7H,1-2H3,(H,18,21)(H,16,17,19)
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n/an/a 202n/an/an/an/a7.5n/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair