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Compile Data Set for Download or QSAR

Found 221 hits with Last Name = 'preuss' and Initial = 'f'   
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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.570n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CSF1R (unknown origin) by enzymatic 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))
BDBM50585203
PNG
(CHEMBL5085430)
Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)C1CCC1
PDB

KEGG

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n/an/a 4.5n/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 17A


(Homo sapiens (Human))
BDBM50606011
PNG
(CHEMBL5191892)
Show SMILES C[C@H](NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccncc1 |r|
PDB

KEGG

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n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00173
BindingDB Entry DOI: 10.7270/Q2NC6587
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 18n/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
Leucine-rich repeat 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 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LRRK2 (970 to end residues) using RLGRDKYKTLRQIRQ as substrate incubated for 40 mins in presence of [gamma-33P-ATP] b...


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))
BDBM50606014
PNG
(CHEMBL5193635)
Show SMILES CC(NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccccc1
PDB

KEGG

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n/an/a 31n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00173
BindingDB Entry DOI: 10.7270/Q2NC6587
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50585194
PNG
(CHEMBL5087006)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccnc(Nc3cccc(NC(=O)N4CCCC4)c3)n2)cc1
PDB

KEGG

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n/an/a 33n/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
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 37n/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
BMP-2-inducible protein kinase


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

KEGG

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n/an/a 38n/an/an/an/an/an/a


TBA

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


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

KEGG

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n/an/a 40n/an/an/an/an/an/a


TBA

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


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))
BDBM50111572
PNG
(CHEMBL3605057)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 43n/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))
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 48n/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
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50606012
PNG
(CHEMBL5087558)
Show SMILES CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
PDB

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n/an/a 49n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00173
BindingDB Entry DOI: 10.7270/Q2NC6587
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase 17A


(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 |r|
Show InChI InChI=1S/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+/m1/s1
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n/an/a 54n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00173
BindingDB Entry DOI: 10.7270/Q2NC6587
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


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

KEGG

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n/an/a 58n/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))
BDBM50585189
PNG
(CHEMBL5083125)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 66n/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
Non-receptor tyrosine-protein kinase TYK2


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

KEGG

UniProtKB/SwissProt

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n/an/a 67n/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
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50606011
PNG
(CHEMBL5191892)
Show SMILES C[C@H](NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccncc1 |r|
PDB

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n/an/a 70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00173
BindingDB Entry DOI: 10.7270/Q2NC6587
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50606014
PNG
(CHEMBL5193635)
Show SMILES CC(NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccccc1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 71n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00173
BindingDB Entry DOI: 10.7270/Q2NC6587
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50585203
PNG
(CHEMBL5085430)
Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)C1CCC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a 72n/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
AP2-associated protein kinase 1


(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 74n/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
AP2-associated protein kinase 1


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

KEGG

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n/an/a 80n/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
Serine/threonine-protein kinase 16


(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 82n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human STK16 in presence of [gamma-33P-ATP] by radiometric scintillation 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 16


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

UniProtKB/SwissProt

antibodypedia
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PC sid
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n/an/a 88n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human STK16 in presence of [gamma-33P-ATP] by radiometric scintillation assay


Citation and Details

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


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

KEGG

UniProtKB/SwissProt

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antibodypedia
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n/an/a 89n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LRRK2 (970 to end residues) using RLGRDKYKTLRQIRQ as substrate incubated for 40 mins in presence of [gamma-33P-ATP] b...


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

UniProtKB/SwissProt

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n/an/a 91n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEFG as substrate measured after 40 mins in presence of [gamma33P]ATP by ra...


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

KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
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n/an/a 126n/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))
BDBM50585192
PNG
(CHEMBL5088682)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2C2CC2)cc1
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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/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50585203
PNG
(CHEMBL5085430)
Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)C1CCC1
PDB
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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))
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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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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50585190
PNG
(CHEMBL5093111)
Show SMILES NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C2CC2)cc1
PDB
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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
Serine/threonine-protein kinase 17A


(Homo sapiens (Human))
BDBM50606013
PNG
(CHEMBL5204528)
Show SMILES O=C(NCc1ccccc1)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00173
BindingDB Entry DOI: 10.7270/Q2NC6587
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


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

Assay Description
Inhibition of recombinant human LRRK2 (970 to end residues) using RLGRDKYKTLRQIRQ as substrate incubated for 40 mins in presence of [gamma-33P-ATP] b...


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 17B


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

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TBA

Assay Description
Inhibition of recombinant human DRAK2 using KKRPQRRYSNVF as substrate after 120 mins in presence of [gamma-33ATP] by scintillation counting based 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 17A


(Homo sapiens (Human))
BDBM50606013
PNG
(CHEMBL5204528)
Show SMILES O=C(NCc1ccccc1)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
PDB

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n/an/a 171n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00173
BindingDB Entry DOI: 10.7270/Q2NC6587
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NUAK family SNF1-like kinase 1


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

Assay Description
Inhibition of recombinant human ARK5 (2 to end residues) using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33ATP...


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))
BDBM50585204
PNG
(CHEMBL5085698)
Show SMILES C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
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TBA

Assay Description
Inhibition of recombinant human ARK5 (2 to end residues) using KKKVSRSGLYRSPSMPENLNRPR as substrate incubated for 40 mins in presence of [gamma-33ATP...


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))
BDBM50606012
PNG
(CHEMBL5087558)
Show SMILES CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00173
BindingDB Entry DOI: 10.7270/Q2NC6587
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase SIK2


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

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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
Macrophage colony-stimulating factor 1 receptor


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

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TBA

Assay Description
Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEFG as substrate measured after 40 mins in presence of [gamma33P]ATP by ra...


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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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
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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TBA

Assay Description
Inhibition of recombinant human DRAK1 using KKLNRTLSFAEPG as substrate after 40 mins in presence of [gamma-33ATP] by scintillation counting based 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))
BDBM50585199
PNG
(CHEMBL5088930)
Show SMILES Brc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1NCCc1c[nH]cn1
PDB
MMDB

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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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM50585187
PNG
(CHEMBL5079601)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
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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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50585193
PNG
(CHEMBL5072178)
Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1nccc(NCc2ccc(cc2)S(N)(=O)=O)n1
PDB

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TBA

Assay Description
Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEFG as substrate measured after 40 mins in presence of [gamma33P]ATP by ra...


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))
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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TBA

Assay Description
Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEFG as substrate measured after 40 mins in presence of [gamma33P]ATP by ra...


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

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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
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