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Compile Data Set for Download or QSAR

Found 176 hits Enz. Inhib. hit(s) with all data for entry = 2368   
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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50516171
PNG
(CHEMBL4446892)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)
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n/an/a 339n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused TBK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK3


(Homo sapiens (Human))
BDBM50585187
PNG
(CHEMBL5079601)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
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n/an/a 343n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human ULK3 using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50585187
PNG
(CHEMBL5079601)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
PDB
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n/an/a 380n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human MKNK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by rad...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50585186
PNG
(CHEMBL5075360)
Show SMILES O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
PDB

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n/an/a 390n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human AAK1 using peptide as substrate incubated for 120 mins in presence of [gamma-33ATP] by scintillation counting based radiometry as...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50585192
PNG
(CHEMBL5088682)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2C2CC2)cc1
PDB
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n/an/a 477n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TrkA (440 to end residues) using KKKSPGEYVNIEFG as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Myosin light chain kinase 2, skeletal/cardiac muscle


(Homo sapiens (Human))
BDBM50585202
PNG
(CHEMBL5091582)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCc2cnc[nH]2)n1
PDB

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n/an/a 479n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human MYLK2 using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometri...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SIK2


(Homo sapiens (Human))
BDBM50585186
PNG
(CHEMBL5075360)
Show SMILES O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
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n/an/a 481n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SIK2 (1 to 276 residues) using KKKVSRSGLYRSPSMPENLNRPR as substrate measured after 40 mins in presence of [gamma33P]A...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-2


(Homo sapiens (Human))
BDBM50585191
PNG
(CHEMBL5079149)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
PDB
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n/an/a 488n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 1recombinant human BMPR2 (172 to 734 residues) using myelin basic protein as substrate incubated for 120 mins in presence of [gamma-33P...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50585205
PNG
(CHEMBL5090046)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C1CC1)C1CCC1
PDB
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n/an/a 509n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused MARK4 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Activin receptor type-1


(Homo sapiens (Human))
BDBM50585204
PNG
(CHEMBL5085698)
Show SMILES C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
PDB

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n/an/a 537n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALK2 (147 to end residues) using casein as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM50516171
PNG
(CHEMBL4446892)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)
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n/an/a 552n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human IKKepsilon using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50585199
PNG
(CHEMBL5088930)
Show SMILES Brc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1NCCc1c[nH]cn1
PDB

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n/an/a 638n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused DRAK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50585186
PNG
(CHEMBL5075360)
Show SMILES O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
PDB

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n/an/a 720n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TYK2 (875 to end residues) using GGMEDIYFEFMGGKKK as substrate measured after 40 mins in presence of [gamma33P]ATP by radiometric...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50585186
PNG
(CHEMBL5075360)
Show SMILES O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
PDB
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n/an/a 769n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human MKNK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by rad...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50585201
PNG
(CHEMBL5091688)
Show SMILES C(Cc1c[nH]cn1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1
PDB
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n/an/a 808n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused MARK4 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50585199
PNG
(CHEMBL5088930)
Show SMILES Brc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1NCCc1c[nH]cn1
PDB
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n/an/a 872n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused MARK3 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50585187
PNG
(CHEMBL5079601)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
PDB

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n/an/a 874n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused DRAK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 2


(Homo sapiens (Human))
BDBM50585191
PNG
(CHEMBL5079149)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human NUAK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK3


(Homo sapiens (Human))
BDBM50516171
PNG
(CHEMBL4446892)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)
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n/an/a 946n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human ULK3 using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50585191
PNG
(CHEMBL5079149)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
PDB
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n/an/a 1.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human MKNK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by rad...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50585189
PNG
(CHEMBL5083125)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
PDB

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n/an/a 1.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NanoLuc-fused BMP2K (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Myosin light chain kinase 2, skeletal/cardiac muscle


(Homo sapiens (Human))
BDBM50585188
PNG
(CHEMBL5086901)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCc2c[nH]cn2)n1
PDB

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n/an/a 1.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human MYLK2 using KKLNRTLSFAEPG as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometri...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 2


(Homo sapiens (Human))
BDBM50516171
PNG
(CHEMBL4446892)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)
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n/an/a 1.15E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human NUAK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM50585196
PNG
(CHEMBL5084750)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCc2ccc(cc2)S(N)(=O)=O)n1
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human IKKepsilon using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM50585190
PNG
(CHEMBL5093111)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C2CC2)cc1
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n/an/a 1.31E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human IKKepsilon using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50516171
PNG
(CHEMBL4446892)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)
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n/an/a 1.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human MKNK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by rad...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK3


(Homo sapiens (Human))
BDBM50585189
PNG
(CHEMBL5083125)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
PDB

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n/an/a 1.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human ULK3 using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric scinti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK2


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

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n/an/a 1.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human ULK2 (1to 306 residues) using casein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50585205
PNG
(CHEMBL5090046)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C1CC1)C1CCC1
PDB
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused MARK3 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50585190
PNG
(CHEMBL5093111)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C2CC2)cc1
PDB

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n/an/a 2.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused TBK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50585191
PNG
(CHEMBL5079149)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
PDB
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n/an/a 2.27E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human CSNK2A2 using RRRDDDSDDD a substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50585189
PNG
(CHEMBL5083125)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
PDB
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human CSNK2A2 using RRRDDDSDDD a substrate incubated for 40 mins in presence of [gamma-33P-ATP] by radiometric ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50585186
PNG
(CHEMBL5075360)
Show SMILES O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
PDB

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n/an/a 2.31E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused DRAK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM17052
PNG
(BX-912 | N-{3-[(5-bromo-4-{[2-(1H-imidazol-4-yl)et...)
Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1cnc[nH]1
Show InChI InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)
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n/an/a 2.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused TBK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50585205
PNG
(CHEMBL5090046)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C1CC1)C1CCC1
PDB

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n/an/a 2.58E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused TBK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50585187
PNG
(CHEMBL5079601)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
PDB

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n/an/a 2.68E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused TBK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

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n/an/a 2.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human TTBK1 (1 to 479 residues) using Casein as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50585198
PNG
(CHEMBL5087433)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCCNC(=O)C2CCC2)n1
PDB
MMDB

KEGG

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n/an/a 2.87E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human MKNK2 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by rad...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-2


(Homo sapiens (Human))
BDBM50585192
PNG
(CHEMBL5088682)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2C2CC2)cc1
PDB
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n/an/a 2.92E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 1recombinant human BMPR2 (172 to 734 residues) using myelin basic protein as substrate incubated for 120 mins in presence of [gamma-33P...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50585191
PNG
(CHEMBL5079149)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
PDB

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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NanoLuc-fused BMP2K (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM17052
PNG
(BX-912 | N-{3-[(5-bromo-4-{[2-(1H-imidazol-4-yl)et...)
Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1cnc[nH]1
Show InChI InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)
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n/an/a 3.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused MARK3 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50585197
PNG
(CHEMBL5079920)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCCNC(=O)C2CCC2)n1
PDB
MMDB

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n/an/a 3.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused MARK4 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50585201
PNG
(CHEMBL5091688)
Show SMILES C(Cc1c[nH]cn1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1
PDB

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n/an/a 3.62E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused DRAK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Myosin light chain kinase 2, skeletal/cardiac muscle


(Homo sapiens (Human))
BDBM50585202
PNG
(CHEMBL5091582)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCCc2cnc[nH]2)n1
PDB

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n/an/a 3.67E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NanoLuc-fused MYLK2 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50585201
PNG
(CHEMBL5091688)
Show SMILES C(Cc1c[nH]cn1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1
PDB
MMDB

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n/an/a 4.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K9 from NLuc fused MARK3 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NIM1


(Homo sapiens (Human))
BDBM50585188
PNG
(CHEMBL5086901)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCc2c[nH]cn2)n1
KEGG

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n/an/a 4.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length recombinant human NIM1 using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33P-ATP] by r...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50585195
PNG
(CHEMBL5089987)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1
PDB

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n/an/a 5.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NanoLuc-fused CSF1R (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50585191
PNG
(CHEMBL5079149)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1
PDB

KEGG

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n/an/a 6.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused TBK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50585189
PNG
(CHEMBL5083125)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
KEGG

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n/an/a 7.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of NanoLuc-fused NUAK1 (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50585196
PNG
(CHEMBL5084750)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCc2ccc(cc2)S(N)(=O)=O)n1
PDB

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n/an/a 7.46E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of tracer K5 from NLuc fused TBK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00440
BindingDB Entry DOI: 10.7270/Q27S7SND
More data for this
Ligand-Target Pair
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