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Compile Data Set for Download or QSAR

Found 10 hits of ph data with Target = 'Mixed Lineage Kinase 3 (MLK3)'   
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
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
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
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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PubMed
n/an/a 64n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM14178
PNG
(12,13-dihydro-6H,7H,14H-naphthyl-[3,4-a]pyrrolo[3,...)
Show SMILES O=C1NCc2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
Show InChI InChI=1S/C22H16N2O/c25-22-20-16(11-23-22)19-14-7-3-4-8-17(14)24-21(19)15-10-9-12-5-1-2-6-13(12)18(15)20/h1-8,24H,9-11H2,(H,23,25)
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n/an/a 724n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24943
PNG
(20-methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
Show InChI InChI=1S/C23H18N2O2/c1-27-13-7-9-14-12(10-13)6-8-16-19(14)21-17(11-24-23(21)26)20-15-4-2-3-5-18(15)25-22(16)20/h2-5,7,9-10,25H,6,8,11H2,1H3,(H,24,26)
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n/an/a 274n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24944
PNG
(20-(propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.0^{...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
Show InChI InChI=1S/C25H22N2O2/c1-13(2)29-15-8-10-16-14(11-15)7-9-18-21(16)23-19(12-26-25(23)28)22-17-5-3-4-6-20(17)27-24(18)22/h3-6,8,10-11,13,27H,7,9,12H2,1-2H3,(H,26,28)
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n/an/a 159n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24950
PNG
(20-hydroxy-3-(2-hydroxyethyl)-3,13-diazahexacyclo[...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccc(O)cc4CCc3c12
Show InChI InChI=1S/C24H20N2O3/c27-10-9-26-19-4-2-1-3-16(19)21-18-12-25-24(29)22(18)20-15-8-6-14(28)11-13(15)5-7-17(20)23(21)26/h1-4,6,8,11,27-28H,5,7,9-10,12H2,(H,25,29)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24946
PNG
(3-(2-hydroxyethyl)-3,13-diazahexacyclo[14.8.0.0^{2...)
Show SMILES OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4CCc3c12
Show InChI InChI=1S/C24H20N2O2/c27-12-11-26-19-8-4-3-7-16(19)21-18-13-25-24(28)22(18)20-15-6-2-1-5-14(15)9-10-17(20)23(21)26/h1-8,27H,9-13H2,(H,25,28)
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n/an/a 1.00E+3n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24947
PNG
(3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29)
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n/an/a 55n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24948
PNG
(3-(3-hydroxypropyl)-20-methoxy-3,13-diazahexacyclo...)
Show SMILES COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCCO)c32)c1
Show InChI InChI=1S/C26H24N2O3/c1-31-16-8-10-17-15(13-16)7-9-19-22(17)24-20(14-27-26(24)30)23-18-5-2-3-6-21(18)28(25(19)23)11-4-12-29/h2-3,5-6,8,10,13,29H,4,7,9,11-12,14H2,1H3,(H,27,30)
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n/an/a 87n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24949
PNG
(3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazah...)
Show SMILES CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Show InChI InChI=1S/C27H26N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13,15,30H,7,9,11-12,14H2,1-2H3,(H,28,31)
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n/an/a 65n/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3)


(Homo sapiens)
BDBM24945
PNG
(20-hydroxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{...)
Show SMILES Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c3[nH]c3ccccc23)c1
Show InChI InChI=1S/C22H16N2O2/c25-12-6-8-13-11(9-12)5-7-15-18(13)20-16(10-23-22(20)26)19-14-3-1-2-4-17(14)24-21(15)19/h1-4,6,8-9,24-25H,5,7,10H2,(H,23,26)
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n/an/an/an/an/an/an/a7.237



Cephalon



Assay Description
The MLK kinase assays were performed by using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. The inhibition curves were genera...


J Med Chem 51: 5680-9 (2008)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q2TH8K09
More data for this
Ligand-Target Pair