BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2297 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 1'   
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 12


(Homo sapiens (Human))
BDBM289495
PNG
(1-(4-(6-amino-5-(tri- fluoromethyl)pyridin-3- yl)-...)
Show SMILES CC(C)C(O)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1/C22H28F3N5O3/c1-13(2)17(31)19-28-15(14-7-16(18(26)27-8-14)33-22(23,24)25)9-30(19)21-10-20(11-21,12-21)29-3-5-32-6-4-29/h7-9,13,17,31H,3-6,10-12H2,1-2H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.110n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289483
PNG
(1-(4-(6-amino-5- (trifluoromethyl)- pyridin-3-yl)-...)
Show SMILES CC(C)C(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1/C18H21F3N4O/c1-9(2)14(26)16-24-13(8-25(16)17-4-10(5-17)6-17)11-3-12(18(19,20)21)15(22)23-7-11/h3,7-10,14,26H,4-6H2,1-2H3,(H2,22,23)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.290n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289429
PNG
((S)-1-(4-(6-amino-5-(trifluoromethoxy)pyridin-3-yl...)
Show SMILES CCCN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1[C@@H](O)C(C)C)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1/C25H35F3N6O2/c1-4-5-32-6-8-33(9-7-32)23-13-24(14-23,15-23)34-12-18(31-22(34)20(35)16(2)3)17-10-19(21(29)30-11-17)36-25(26,27)28/h10-12,16,20,35H,4-9,13-15H2,1-3H3,(H2,29,30)/t20-,23?,24?/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.310n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289505
PNG
(1-(4-(6-amino-5-(tri- fluoromethyl)pyridin-3- yl)-...)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)C(O)C(F)(F)F)C12CC(C1)(C2)N1CCOCC1
Show InChI InChI=1/C20H21F6N5O2/c21-19(22,23)12-5-11(6-28-15(12)27)13-7-31(16(29-13)14(32)20(24,25)26)18-8-17(9-18,10-18)30-1-3-33-4-2-30/h5-7,14,32H,1-4,8-10H2,(H2,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.360n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289428
PNG
((S)-1-(4-(6-amino-5-(trifluoromethoxy)pyridin-3-yl...)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)[C@@H](O)C(F)(F)F)C12CC(C1)(C2)N1CCOCC1
Show InChI InChI=1/C20H21F6N5O3/c21-19(22,23)14(32)16-29-12(11-5-13(15(27)28-6-11)34-20(24,25)26)7-31(16)18-8-17(9-18,10-18)30-1-3-33-4-2-30/h5-7,14,32H,1-4,8-10H2,(H2,27,28)/t14-,17?,18?/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.360n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289481
PNG
(1-(4-(6-amino-5-(tri- fluoromethoxy)pyridin- 3-yl)...)
Show SMILES CC(C)C(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1/C18H21F3N4O2/c1-9(2)14(26)16-24-12(8-25(16)17-4-10(5-17)6-17)11-3-13(15(22)23-7-11)27-18(19,20)21/h3,7-10,14,26H,4-6H2,1-2H3,(H2,22,23)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.620n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289426
PNG
( (R)-1-(4-(6-amino-5-(trifluoromethyl)pyridin-3-yl...)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)[C@H](O)C(F)(F)F)C12CC(C1)C2
Show InChI InChI=1/C16H14F6N4O/c17-15(18,19)9-1-8(5-24-12(9)23)10-6-26(14-2-7(3-14)4-14)13(25-10)11(27)16(20,21)22/h1,5-7,11,27H,2-4H2,(H2,23,24)/t7?,11-,14?/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 0.740n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289481
PNG
(1-(4-(6-amino-5-(tri- fluoromethoxy)pyridin- 3-yl)...)
Show SMILES CC(C)C(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1/C18H21F3N4O2/c1-9(2)14(26)16-24-12(8-25(16)17-4-10(5-17)6-17)11-3-13(15(22)23-7-11)27-18(19,20)21/h3,7-10,14,26H,4-6H2,1-2H3,(H2,22,23)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 1.10n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289491
PNG
(1-(4-(6-amino-5- (trifluoromethoxy)- pyridin-3-yl)...)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C(O)C(F)(F)F)C12CC(C1)C2
Show InChI InChI=1/C16H14F6N4O2/c17-15(18,19)11(27)13-25-9(6-26(13)14-2-7(3-14)4-14)8-1-10(12(23)24-5-8)28-16(20,21)22/h1,5-7,11,27H,2-4H2,(H2,23,24)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 1.60n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289437
PNG
(4-(3-(2-cyclopropyl-4-(3-(trifluoromethyl)-1H-pyrr...)
Show SMILES FC(F)(F)c1c[nH]c2ncc(cc12)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCOCC1
Show InChI InChI=1S/C23H24F3N5O/c24-23(25,26)17-9-28-19-16(17)7-15(8-27-19)18-10-31(20(29-18)14-1-2-14)22-11-21(12-22,13-22)30-3-5-32-6-4-30/h7-10,14H,1-6,11-13H2,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 1.90n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/s2
PDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MLK3 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289489
PNG
(1-(4-(6-amino-5-(tri- fluoromethyl)pyridin-3- yl)-...)
Show SMILES CCC(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1/C17H19F3N4O/c1-2-13(25)15-23-12(8-24(15)16-4-9(5-16)6-16)10-3-11(17(18,19)20)14(21)22-7-10/h3,7-9,13,25H,2,4-6H2,1H3,(H2,21,22)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 2.10n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289425
PNG
((R)-(4-(6-amino-5-(trifluoromethyl)pyridin-3-yl)-1...)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)[C@H](O)C1CC1)C12CC(C1)C2
Show InChI InChI=1/C18H19F3N4O/c19-18(20,21)12-3-11(7-23-15(12)22)13-8-25(17-4-9(5-17)6-17)16(24-13)14(26)10-1-2-10/h3,7-10,14,26H,1-2,4-6H2,(H2,22,23)/t9?,14-,17?/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 2.30n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289484
PNG
((4-(6-amino-5-(trifluoro- methyl)pyridin-3- yl)-1-...)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)C(O)C1CC1)C12CC(C1)C2
Show InChI InChI=1/C18H19F3N4O/c19-18(20,21)12-3-11(7-23-15(12)22)13-8-25(17-4-9(5-17)6-17)16(24-13)14(26)10-1-2-10/h3,7-10,14,26H,1-2,4-6H2,(H2,22,23)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 2.40n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 15


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.5n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MAP3K15 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289447
PNG
(4-(3-(2-isopropyl-4-(1-(1-(pyridin-2-yl)ethyl)-1H-...)
Show SMILES CC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc2ccn(C(C)c3ccccn3)c2c1
Show InChI InChI=1/C29H34N6O/c1-20(2)27-32-25(16-35(27)29-17-28(18-29,19-29)33-10-12-36-13-11-33)22-14-26-24(31-15-22)7-9-34(26)21(3)23-6-4-5-8-30-23/h4-9,14-16,20-21H,10-13,17-19H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 2.90n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289466
PNG
(5-(2-(cyclopropyl- methyl)-1-(3-(4- methylpiperazi...)
Show SMILES CN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H29F3N6/c1-30-4-6-31(7-5-30)21-12-22(13-21,14-21)32-11-18(29-19(32)8-15-2-3-15)16-9-17(23(24,25)26)20(27)28-10-16/h9-11,15H,2-8,12-14H2,1H3,(H2,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 3.10n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 15


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 3.40n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to MAP3K15


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 15


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 3.40n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MAP3K15 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 3.80n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MLK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289509
PNG
(5-(2-isopropyl-1-(3-(4- methylpiperazin-1-yl)- bic...)
Show SMILES CC(C)c1nc(cn1C12CC(C1)(C2)N1CCN(C)CC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C22H29F3N6O/c1-14(2)19-28-16(15-8-17(18(26)27-9-15)32-22(23,24)25)10-31(19)21-11-20(12-21,13-21)30-6-4-29(3)5-7-30/h8-10,14H,4-7,11-13H2,1-3H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 4.5n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289480
PNG
((4-(6-amino-5-(tri- fluoromethoxy)pyridin- 3-yl)-1...)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C(O)C1CC1)C12CC(C1)C2
Show InChI InChI=1/C18H19F3N4O2/c19-18(20,21)27-13-3-11(7-23-15(13)22)12-8-25(17-4-9(5-17)6-17)16(24-12)14(26)10-1-2-10/h3,7-10,14,26H,1-2,4-6H2,(H2,22,23)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 5.10n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50271212
PNG
(CHEMBL3715238)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1cc([C@@H]2[C@H]3CN(C[C@@H]23)C2COC2)n(CC2CC2)n1
Show InChI InChI=1S/C21H24F3N5O/c22-21(23,24)16-3-12(5-26-20(16)25)17-4-18(29(27-17)6-11-1-2-11)19-14-7-28(8-15(14)19)13-9-30-10-13/h3-5,11,13-15,19H,1-2,6-10H2,(H2,25,26)/t14-,15+,19+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 5.10n/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to full length wild type human DLK (M1 to P859 residues) expressed in mammalian cells by KINOMEscan assay


J Med Chem 60: 8083-8102 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289471
PNG
(5-(2-isobutyl-1-(3- morpholinobicyclo- [1.1.1]pent...)
Show SMILES CC(C)Cc1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H28F3N5O/c1-14(2)7-18-28-17(15-8-16(22(23,24)25)19(26)27-9-15)10-30(18)21-11-20(12-21,13-21)29-3-5-31-6-4-29/h8-10,14H,3-7,11-13H2,1-2H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 6n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289444
PNG
(5-(1-(3-(bis(2-methoxyethyl)amino)bicyclo[1.1.1]pe...)
Show SMILES COCCN(CCOC)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C23H30F3N5O3/c1-32-7-5-30(6-8-33-2)21-12-22(13-21,14-21)31-11-17(29-20(31)15-3-4-15)16-9-18(19(27)28-10-16)34-23(24,25)26/h9-11,15H,3-8,12-14H2,1-2H3,(H2,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 6.40n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289455
PNG
(5-(1-(3-morpholino- bicyclo[1.1.1]pentan-1- yl)-2-...)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CCCO1)C12CC(C1)(C2)N1CCOCC1
Show InChI InChI=1/C22H26F3N5O3/c23-22(24,25)33-17-8-14(9-27-18(17)26)15-10-30(19(28-15)16-2-1-5-32-16)21-11-20(12-21,13-21)29-3-6-31-7-4-29/h8-10,16H,1-7,11-13H2,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 6.70n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289443
PNG
(5-(2-cyclopropyl-1-(3-((2-methoxyethyl)(methyl)ami...)
Show SMILES COCCN(C)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C21H26F3N5O2/c1-28(5-6-30-2)19-10-20(11-19,12-19)29-9-15(27-18(29)13-3-4-13)14-7-16(17(25)26-8-14)31-21(22,23)24/h7-9,13H,3-6,10-12H2,1-2H3,(H2,25,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 6.80n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289436
PNG
(5-(2-cyclopropyl-1-(3-(4-(2-fluoroethyl)piperazin-...)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCN(CCF)CC1
Show InChI InChI=1S/C23H28F4N6O/c24-3-4-31-5-7-32(8-6-31)21-12-22(13-21,14-21)33-11-17(30-20(33)15-1-2-15)16-9-18(19(28)29-10-16)34-23(25,26)27/h9-11,15H,1-8,12-14H2,(H2,28,29)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 6.90n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289445
PNG
(1-(3-(4-(6-amino-5-(trifluoromethoxy)pyridin-3-yl)...)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCC(O)CC1
Show InChI InChI=1S/C22H26F3N5O2/c23-22(24,25)32-17-7-14(8-27-18(17)26)16-9-30(19(28-16)13-1-2-13)21-10-20(11-21,12-21)29-5-3-15(31)4-6-29/h7-9,13,15,31H,1-6,10-12H2,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 7n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289458
PNG
(5-(2-(cyclopropyl- methyl)-1-(3-morpho- linobicycl...)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1cn(c(CC2CC2)n1)C12CC(C1)(C2)N1CCOCC1
Show InChI InChI=1S/C22H26F3N5O/c23-22(24,25)16-8-15(9-27-19(16)26)17-10-30(18(28-17)7-14-1-2-14)21-11-20(12-21,13-21)29-3-5-31-6-4-29/h8-10,14H,1-7,11-13H2,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 7.20n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289511
PNG
(5-(2-cyclopropyl-1-(3- (4-methylpiperazin-1- yl)bi...)
Show SMILES CN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)F)c1
Show InChI InChI=1S/C22H28F2N6O/c1-28-4-6-29(7-5-28)21-11-22(12-21,13-21)30-10-16(27-19(30)14-2-3-14)15-8-17(31-20(23)24)18(25)26-9-15/h8-10,14,20H,2-7,11-13H2,1H3,(H2,25,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 7.40n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289510
PNG
(5-(2-cyclopropyl-1-(3- (4-methylpiperazin-1- yl)bi...)
Show SMILES CN1CCN(CC1)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N6/c1-29-4-6-30(7-5-29)20-11-21(12-20,13-20)31-10-17(28-19(31)14-2-3-14)15-8-16(22(23,24)25)18(26)27-9-15/h8-10,14H,2-7,11-13H2,1H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 7.5n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289424
PNG
(US10093664, Example 4)
Show SMILES Nc1ncc(cc1C(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCOCC1
Show InChI InChI=1S/C21H24F3N5O/c22-21(23,24)15-7-14(8-26-17(15)25)16-9-29(18(27-16)13-1-2-13)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,1-6,10-12H2,(H2,25,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 8.30n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289473
PNG
(5-(2-(sec-butyl)-1-(3- morpholinobicyclo- [1.1.1]p...)
Show SMILES CCC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1/C22H28F3N5O2/c1-3-14(2)19-28-16(15-8-17(18(26)27-9-15)32-22(23,24)25)10-30(19)21-11-20(12-21,13-21)29-4-6-31-7-5-29/h8-10,14H,3-7,11-13H2,1-2H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 8.60n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289474
PNG
(5-(2-(sec-butyl)-1-(3- morpholinobicyclo- [1.1.1]p...)
Show SMILES CCC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1/C22H28F3N5O/c1-3-14(2)19-28-17(15-8-16(22(23,24)25)18(26)27-9-15)10-30(19)21-11-20(12-21,13-21)29-4-6-31-7-5-29/h8-10,14H,3-7,11-13H2,1-2H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 9.5n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289456
PNG
((S)-1-(4-(6-amino-5- (trifluoromethyl)- pyridin-3-...)
Show SMILES C[C@H](O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1/C16H17F3N4O/c1-8(24)14-22-12(7-23(14)15-3-9(4-15)5-15)10-2-11(16(17,18)19)13(20)21-6-10/h2,6-9,24H,3-5H2,1H3,(H2,20,21)/t8-,9?,15?/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 9.70n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289441
PNG
(4-(3-(4-(6-amino-5-(trifluoromethoxy)pyridin-3-yl)...)
Show SMILES CN1CCN(CC1=O)C12CC(C1)(C2)n1cc(nc1C1CC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C22H25F3N6O2/c1-29-4-5-30(9-17(29)32)20-10-21(11-20,12-20)31-8-15(28-19(31)13-2-3-13)14-6-16(18(26)27-7-14)33-22(23,24)25/h6-8,13H,2-5,9-12H2,1H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 9.70n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 11n/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MLK3


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 12


(Homo sapiens (Human))
BDBM289478
PNG
(1-(4-(6-amino-5-(tri- fluoromethoxy)pyridin- 3-yl)...)
Show SMILES CCC(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1/C17H19F3N4O2/c1-2-12(25)15-23-11(8-24(15)16-4-9(5-16)6-16)10-3-13(14(21)22-7-10)26-17(18,19)20/h3,7-9,12,25H,2,4-6H2,1H3,(H2,21,22)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 11n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 11n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MLK3 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289423
PNG
(5-(2-isopropyl-1-(3-morpholinobicyclo[1.1.1]pentan...)
Show SMILES CC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C21H26F3N5O2/c1-13(2)18-27-15(14-7-16(17(25)26-8-14)31-21(22,23)24)9-29(18)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,3-6,10-12H2,1-2H3,(H2,25,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 11n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50271207
PNG
(CHEMBL3719135)
Show SMILES CC(C)n1nc(cc1[C@@H]1[C@H]2CN(C[C@@H]12)C1COC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C20H24F3N5O2/c1-10(2)28-16(18-13-6-27(7-14(13)18)12-8-29-9-12)4-15(26-28)11-3-17(19(24)25-5-11)30-20(21,22)23/h3-5,10,12-14,18H,6-9H2,1-2H3,(H2,24,25)/t13-,14+,18+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 11n/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to full length wild type human DLK (M1 to P859 residues) expressed in mammalian cells by KINOMEscan assay


J Med Chem 60: 8083-8102 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289421
PNG
(5-(2-cyclopropyl-1-(3-morpholinobicyclo[1.1.1]pent...)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCOCC1
Show InChI InChI=1S/C21H24F3N5O2/c22-21(23,24)31-16-7-14(8-26-17(16)25)15-9-29(18(27-15)13-1-2-13)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,1-6,10-12H2,(H2,25,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 11.4n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289506
PNG
(3-(difluoromethoxy)-5- (1-isopropyl-5-(3- morpholi...)
Show SMILES CC(C)n1nc(cc1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C21H26F3N5O2/c1-13(2)29-17(19-10-20(11-19,12-19)28-3-5-30-6-4-28)8-15(27-29)14-7-16(18(25)26-9-14)31-21(22,23)24/h7-9,13H,3-6,10-12H2,1-2H3,(H2,25,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 13n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289504
PNG
(1-(4-(6-amino-5-(tri- fluoromethyl)pyridin-3- yl)-...)
Show SMILES CC(C)C(O)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1/C22H28F3N5O2/c1-13(2)17(31)19-28-16(14-7-15(22(23,24)25)18(26)27-8-14)9-30(19)21-10-20(11-21,12-21)29-3-5-32-6-4-29/h7-9,13,17,31H,3-6,10-12H2,1-2H3,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 13n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289472
PNG
(5-(1-(3-morpholino- bicyclo[1.1.1]pentan-1- yl)-2-...)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(CC(F)(F)F)n1)C12CC(C1)(C2)N1CCOCC1
Show InChI InChI=1S/C20H21F6N5O2/c21-19(22,23)6-15-29-13(12-5-14(16(27)28-7-12)33-20(24,25)26)8-31(15)18-9-17(10-18,11-18)30-1-3-32-4-2-30/h5,7-8H,1-4,6,9-11H2,(H2,27,28)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 13n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289422
PNG
(US10093664, Example 2)
Show SMILES CC(C)c1nc(cn1C12CC(C1)(C2)N1CCOCC1)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N5O/c1-13(2)18-27-16(14-7-15(21(22,23)24)17(25)26-8-14)9-29(18)20-10-19(11-20,12-20)28-3-5-30-6-4-28/h7-9,13H,3-6,10-12H2,1-2H3,(H2,25,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 13n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289479
PNG
(1-(4-(6-amino-5-(tri- fluoromethoxy)pyridin- 3-yl)...)
Show SMILES CC(O)c1nc(cn1C12CC(C1)C2)-c1cnc(N)c(OC(F)(F)F)c1
Show InChI InChI=1/C16H17F3N4O2/c1-8(24)14-22-11(7-23(14)15-3-9(4-15)5-15)10-2-12(13(20)21-6-10)25-16(17,18)19/h2,6-9,24H,3-5H2,1H3,(H2,20,21)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 14n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289492
PNG
(5-(2-((benzyloxy)- methyl)-1-(3-morpho- linobicycl...)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(COCc2ccccc2)n1)C12CC(C1)(C2)N1CCOCC1
Show InChI InChI=1S/C26H28F3N5O3/c27-26(28,29)37-21-10-19(11-31-23(21)30)20-12-34(22(32-20)14-36-13-18-4-2-1-3-5-18)25-15-24(16-25,17-25)33-6-8-35-9-7-33/h1-5,10-12H,6-9,13-17H2,(H2,30,31)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 14n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM289438
PNG
(5-(2-cyclopropyl-1-(3-(piperidin-1-yl)bicyclo[1.1....)
Show SMILES Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)C1CC1)C12CC(C1)(C2)N1CCCCC1
Show InChI InChI=1S/C22H26F3N5O/c23-22(24,25)31-17-8-15(9-27-18(17)26)16-10-30(19(28-16)14-4-5-14)21-11-20(12-21,13-21)29-6-2-1-3-7-29/h8-10,14H,1-7,11-13H2,(H2,26,27)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/a 14n/an/an/an/an/a



The University of Texas System

US Patent


Assay Description
The DLK dissociation constants (Kd) have been determined in the KINOMEscan KdELECT Service at DiscoveRx. A fusion protein of full length of human DLK...


US Patent US10093664 (2018)


Article DOI: 10.1016/j.bmcl.2004.06.019
BindingDB Entry DOI: 10.7270/Q28P62KQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2297 total )  |  Next  |  Last  >>
Jump to: