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Compile Data Set for Download or QSAR

Found 253 hits with Last Name = 'gelbard' and Initial = 'ha'   
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
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens (Human))
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r|
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK2 (unknown origin) after 20 mins in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM356235
PNG
(BDBM50441572 | US9814704, Example 36)
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n/an/a 3n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human FLT3 by high throughput ATP-[33P] radiolabeled assay


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50441571
PNG
(CHEMBL2436982 | US9814704, Example 18)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
Show InChI InChI=1S/C21H20N4O3/c1-26-17-7-13(8-18(27-2)20(17)28-3)14-6-15-16(11-25-21(15)24-10-14)12-4-5-19(22)23-9-12/h4-11H,1-3H3,(H2,22,23)(H,24,25)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type LRRK2 by qPCR analysis


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r|
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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n/an/a 6.80n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL1 by high throughput ATP-[33P] radiolabeled assay


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441571
PNG
(CHEMBL2436982 | US9814704, Example 18)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
Show InChI InChI=1S/C21H20N4O3/c1-26-17-7-13(8-18(27-2)20(17)28-3)14-6-15-16(11-25-21(15)24-10-14)12-4-5-19(22)23-9-12/h4-11H,1-3H3,(H2,22,23)(H,24,25)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441570
PNG
(CHEMBL2436976 | US9814704, Example 17)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3cnc(N)nc3)c2c1
Show InChI InChI=1S/C20H19N5O3/c1-26-16-5-11(6-17(27-2)18(16)28-3)12-4-14-15(10-23-19(14)22-7-12)13-8-24-20(21)25-9-13/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50441566
PNG
(CHEMBL2436977)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cnc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C26H26N6/c1-31-8-10-32(11-9-31)17-18-2-4-19(5-3-18)21-13-23-24(16-30-26(23)29-14-21)22-12-20-6-7-27-25(20)28-15-22/h2-7,12-16H,8-11,17H2,1H3,(H,27,28)(H,29,30)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human FLT3 by high throughput ATP-[33P] radiolabeled assay


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type LRRK2 by qPCR analysis


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441569
PNG
(CHEMBL2436981 | US9814704, Example 4)
Show SMILES Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C20H15N5/c21-19-4-2-14(9-23-19)15-8-16-17(11-25-20(16)24-10-15)12-1-3-18-13(7-12)5-6-22-18/h1-11,22H,(H2,21,23)(H,24,25)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (unknown origin)


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441566
PNG
(CHEMBL2436977)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cnc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C26H26N6/c1-31-8-10-32(11-9-31)17-18-2-4-19(5-3-18)21-13-23-24(16-30-26(23)29-14-21)22-12-20-6-7-27-25(20)28-15-22/h2-7,12-16H,8-11,17H2,1H3,(H,27,28)(H,29,30)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM356235
PNG
(BDBM50441572 | US9814704, Example 36)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type LRRK2 by qPCR analysis


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441573
PNG
(CHEMBL2436979 | US9814704, Example 40)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C22H19N5O4/c1-29-17-9-13(10-18(30-2)19(17)31-3)16-11-24-20-21(25-16)27(22(28)26-20)14-4-5-15-12(8-14)6-7-23-15/h4-11,23H,1-3H3,(H,24,26,28)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK2 (unknown origin)


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50441569
PNG
(CHEMBL2436981 | US9814704, Example 4)
Show SMILES Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C20H15N5/c21-19-4-2-14(9-23-19)15-8-16-17(11-25-20(16)24-10-15)12-1-3-18-13(7-12)5-6-22-18/h1-11,22H,(H2,21,23)(H,24,25)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type LRRK2 by qPCR analysis


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441568
PNG
(CHEMBL2436983 | US9814704, Example 9)
Show SMILES Nc1ncc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C19H14N6/c20-19-24-8-14(9-25-19)13-6-15-16(10-23-18(15)22-7-13)11-1-2-17-12(5-11)3-4-21-17/h1-10,21H,(H,22,23)(H2,20,24,25)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human TRKA by high throughput ATP-[33P] radiolabeled assay


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354882
PNG
(US9814704, Example 159)
PDB

NCI pathway
KEGG

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354885
PNG
(US9814704, Example 162)
PDB

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KEGG

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354888
PNG
(Preparation of N-methyl-4-{5-[4-(4-methyl-piperazi...)
PDB

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354726
PNG
(Preparation of N-(4-(3-(1H-indol-5-yl)-1H-pyrrolo[...)
PDB

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441569
PNG
(CHEMBL2436981 | US9814704, Example 4)
Show SMILES Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C20H15N5/c21-19-4-2-14(9-23-19)15-8-16-17(11-25-20(16)24-10-15)12-1-3-18-13(7-12)5-6-22-18/h1-11,22H,(H2,21,23)(H,24,25)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354728
PNG
(Preparation of 4-(3-(1H-indol-5-yl)-1H-pyrrolo[2,3...)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354730
PNG
(Preparation of 3-(1H-indol-5-yl)-5-(2-(4-methylpip...)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354731
PNG
(Preparation of 4-(3-(1H-indol-5-yl)-1H-pyrrolo[2,3...)
PDB

NCI pathway
KEGG

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441568
PNG
(CHEMBL2436983 | US9814704, Example 9)
Show SMILES Nc1ncc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C19H14N6/c20-19-24-8-14(9-25-19)13-6-15-16(10-23-18(15)22-7-13)11-1-2-17-12(5-11)3-4-21-17/h1-10,21H,(H,22,23)(H2,20,24,25)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354734
PNG
(Preparation of N-(4-(3-(1H-indol-5-yl)-1H-pyrrolo[...)
PDB

NCI pathway
KEGG

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354738
PNG
(Preparation of 4-(5-(3,4,5-trimethoxyphenyl)-1H-py...)
PDB

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KEGG

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354739
PNG
(Preparation of N-(4-(5-(3,4,5-trimethoxyphenyl)-1H...)
PDB

NCI pathway
KEGG

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441570
PNG
(CHEMBL2436976 | US9814704, Example 17)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3cnc(N)nc3)c2c1
Show InChI InChI=1S/C20H19N5O3/c1-26-16-5-11(6-17(27-2)18(16)28-3)12-4-14-15(10-23-19(14)22-7-12)13-8-24-20(21)25-9-13/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441571
PNG
(CHEMBL2436982 | US9814704, Example 18)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
Show InChI InChI=1S/C21H20N4O3/c1-26-17-7-13(8-18(27-2)20(17)28-3)14-6-15-16(11-25-21(15)24-10-14)12-4-5-19(22)23-9-12/h4-11H,1-3H3,(H2,22,23)(H,24,25)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354742
PNG
(Preparation of N,N-dimethyl-5-(5-(3,4,5-trimethoxy...)
PDB

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354747
PNG
(Preparation of 3-(1-methyl-1H-indol-5-yl)-5-(3,4,5...)
PDB

NCI pathway
KEGG

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354748
PNG
(Preparation of 4-(5-(3,4,5-trimethoxyphenyl)-1H-py...)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354749
PNG
(Preparation of 4-(5-(3,4-dimethoxyphenyl)-1H-pyrro...)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354753
PNG
(US9814704, Example 30)
PDB

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KEGG

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354755
PNG
(US9814704, Example 32)
PDB

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KEGG

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354756
PNG
(Preparation of 1-(4-(3-(1H-indol-5-yl)-1H-pyrrolo[...)
PDB

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KEGG

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n/an/a<100n/an/an/an/an/an/a



The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354757
PNG
(US9814704, Example 34)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM356235
PNG
(BDBM50441572 | US9814704, Example 36)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354760
PNG
(Preparation of 2-(3,4-dimethoxyphenyl)-7-(1H-indol...)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354761
PNG
(Preparation of 4-(7-(1H-indol-5-yl)-5H-pyrrolo[3,2...)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354762
PNG
(Preparation of 4-(2-(4-(7-(1H-indol-5-yl)-5H-pyrro...)
PDB

NCI pathway
KEGG

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441573
PNG
(CHEMBL2436979 | US9814704, Example 40)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1
Show InChI InChI=1S/C22H19N5O4/c1-29-17-9-13(10-18(30-2)19(17)31-3)16-11-24-20-21(25-16)27(22(28)26-20)14-4-5-15-12(8-14)6-7-23-15/h4-11,23H,1-3H3,(H,24,26,28)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354778
PNG
(6-(4-hydroxy-3- methoxyphenyl)-1-(1H- indol-5-yl)-...)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354780
PNG
(1-(1H-indol-5-yl)-6-(3- methoxy-4-(2- morpholinoet...)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354782
PNG
(6-(3,5-difluoro-4- hydroxyphenyl)-1-(1H- indol-5-y...)
PDB

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The University of Rochester

US Patent




US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair
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