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Compile Data Set for Download or QSAR

Found 519 hits with Last Name = 'baumann' and Initial = 'k'   
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
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
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24n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain; 0.024-0.040 uM


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104605
PNG
(13-Eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13|
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3+
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL




Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50175214
PNG
((2R,3R)-diethyl 1-((2S)-3-(azetidin-1-yl)-2-(tert-...)
Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C(C)C)N1CCC1)C(=O)OCC
Show InChI InChI=1S/C22H37N3O7/c1-8-30-19(27)16-17(20(28)31-9-2)25(16)18(26)14(23-21(29)32-22(5,6)7)15(13(3)4)24-11-10-12-24/h13-17H,8-12H2,1-7H3,(H,23,29)/t14-,15?,16+,17+/m0/s1
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4.80E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin L


Bioorg Med Chem Lett 15: 5365-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.012
BindingDB Entry DOI: 10.7270/Q2XP74HX
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50175213
PNG
((2S,3S)-dibenzyl 1-((S)-2-(tert-butoxycarbonyl)-2-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](N1CCCCC1)C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C30H37N3O7/c1-30(2,3)40-29(37)31-25(32-17-11-6-12-18-32)26(34)33-23(27(35)38-19-21-13-7-4-8-14-21)24(33)28(36)39-20-22-15-9-5-10-16-22/h4-5,7-10,13-16,23-25H,6,11-12,17-20H2,1-3H3,(H,31,37)/t23-,24-,25-/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibitory activity against cathepsin L


Bioorg Med Chem Lett 15: 5365-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.012
BindingDB Entry DOI: 10.7270/Q2XP74HX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104603
PNG
(13-Eth-(Z)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1\C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13|
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3-
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1.23E+4n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50104604
PNG
(11-Methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7)...)
Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3C(C1)C2=O |t:1,THB:10:11:14:2.1.13|
Show InChI InChI=1S/C13H13NO2/c1-7-4-8-6-11-9(2-3-12(15)14-11)10(5-7)13(8)16/h2-4,8,10H,5-6H2,1H3,(H,14,15)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


Bioorg Med Chem Lett 11: 2627-30 (2001)


BindingDB Entry DOI: 10.7270/Q2VH5PCN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50402073
PNG
(CHEMBL2206008)
Show SMILES CCN(CC)CCOc1ccc(\C=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C21H23ClN2O2/c1-3-24(4-2)11-12-26-17-8-5-15(6-9-17)13-19-18-14-16(22)7-10-20(18)23-21(19)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,25)/b19-13-
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n/an/a 4.10n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method


Bioorg Med Chem Lett 22: 7634-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.016
BindingDB Entry DOI: 10.7270/Q2SX6FCN
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097869
PNG
(CHEMBL3589662)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



ZAFES/LiFF/Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins


J Med Chem 53: 4691-700 (2010)


Article DOI: 10.1021/jm1003073
BindingDB Entry DOI: 10.7270/Q2N016PB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



ZAFES/LiFF/Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 after 5 mins


J Med Chem 53: 4691-700 (2010)


Article DOI: 10.1021/jm1003073
BindingDB Entry DOI: 10.7270/Q2N016PB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50308196
PNG
(2-(3-Chloro-4-hydroxyanilino)-9-methoxy-5,7-dihydr...)
Show SMILES COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(O)c(Cl)c4)nc-23)c1
Show InChI InChI=1S/C19H15ClN4O3/c1-27-12-3-4-13-15(8-12)23-17(26)6-10-9-21-19(24-18(10)13)22-11-2-5-16(25)14(20)7-11/h2-5,7-9,25H,6H2,1H3,(H,23,26)(H,21,22,24)
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n/an/a 11n/an/an/an/an/an/a



Technische Universitat Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP


J Med Chem 53: 2433-42 (2010)


Article DOI: 10.1021/jm901388c
BindingDB Entry DOI: 10.7270/Q24J0G22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50402072
PNG
(CHEMBL2206013)
Show SMILES Clc1ccc2NC(=O)\C(=C/c3ccc(OCCN4CCOCC4)cc3)c2c1
Show InChI InChI=1S/C21H21ClN2O3/c22-16-3-6-20-18(14-16)19(21(25)23-20)13-15-1-4-17(5-2-15)27-12-9-24-7-10-26-11-8-24/h1-6,13-14H,7-12H2,(H,23,25)/b19-13-
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n/an/a 14n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method


Bioorg Med Chem Lett 22: 7634-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.016
BindingDB Entry DOI: 10.7270/Q2SX6FCN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50308194
PNG
(2-(3-Hydroxyanilino)-9-methoxy-5,7-dihydro-6H-pyri...)
Show SMILES COc1ccc-2c(NC(=O)Cc3cnc(Nc4cccc(O)c4)nc-23)c1
Show InChI InChI=1S/C19H16N4O3/c1-26-14-5-6-15-16(9-14)22-17(25)7-11-10-20-19(23-18(11)15)21-12-3-2-4-13(24)8-12/h2-6,8-10,24H,7H2,1H3,(H,22,25)(H,20,21,23)
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n/an/a 15n/an/an/an/an/an/a



Technische Universitat Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP


J Med Chem 53: 2433-42 (2010)


Article DOI: 10.1021/jm901388c
BindingDB Entry DOI: 10.7270/Q24J0G22
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 16n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50402070
PNG
(CHEMBL2206017)
Show SMILES COc1cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)ccc1OCCCC#N
Show InChI InChI=1S/C20H17ClN2O3/c1-25-19-11-13(4-7-18(19)26-9-3-2-8-22)10-16-15-12-14(21)5-6-17(15)23-20(16)24/h4-7,10-12H,2-3,9H2,1H3,(H,23,24)/b16-10-
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n/an/a 17n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method


Bioorg Med Chem Lett 22: 7634-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.016
BindingDB Entry DOI: 10.7270/Q2SX6FCN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50308195
PNG
(2-(3-Hydroxy-4-methoxyanilino)-9-methoxy-5,7-dihyd...)
Show SMILES COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(OC)c(O)c4)nc-23)c1
Show InChI InChI=1S/C20H18N4O4/c1-27-13-4-5-14-15(9-13)23-18(26)7-11-10-21-20(24-19(11)14)22-12-3-6-17(28-2)16(25)8-12/h3-6,8-10,25H,7H2,1-2H3,(H,23,26)(H,21,22,24)
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n/an/a 18n/an/an/an/an/an/a



Technische Universitat Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP


J Med Chem 53: 2433-42 (2010)


Article DOI: 10.1021/jm901388c
BindingDB Entry DOI: 10.7270/Q24J0G22
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 18n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 20n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 21n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 22n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...


Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097856
PNG
(CHEMBL3589667)
Show SMILES COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11IN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 22n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 23n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 23n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 25n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50308191
PNG
(2-(4-Hydroxyanilino)-9-methoxy-5,7-dihydro-6H-pyri...)
Show SMILES COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(O)cc4)nc-23)c1
Show InChI InChI=1S/C19H16N4O3/c1-26-14-6-7-15-16(9-14)22-17(25)8-11-10-20-19(23-18(11)15)21-12-2-4-13(24)5-3-12/h2-7,9-10,24H,8H2,1H3,(H,22,25)(H,20,21,23)
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n/an/a 28n/an/an/an/an/an/a



Technische Universitat Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP


J Med Chem 53: 2433-42 (2010)


Article DOI: 10.1021/jm901388c
BindingDB Entry DOI: 10.7270/Q24J0G22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50402071
PNG
(CHEMBL2206015)
Show SMILES COc1cc(\C=C2/C(=O)Nc3ccc(Cl)cc23)ccc1OCCN(C)C
Show InChI InChI=1S/C20H21ClN2O3/c1-23(2)8-9-26-18-7-4-13(11-19(18)25-3)10-16-15-12-14(21)5-6-17(15)22-20(16)24/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)/b16-10-
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n/an/a 29n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 90 mins by LANCE method


Bioorg Med Chem Lett 22: 7634-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.016
BindingDB Entry DOI: 10.7270/Q2SX6FCN
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 30n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK3 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097867
PNG
(CHEMBL3589660)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 31n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097872
PNG
(CHEMBL3589663)
Show SMILES COc1cccc2c1[nH]c1c2c(nc2ccccc12)C(O)=O
Show InChI InChI=1S/C17H12N2O3/c1-22-12-8-4-6-10-13-15(19-14(10)12)9-5-2-3-7-11(9)18-16(13)17(20)21/h2-8,19H,1H3,(H,20,21)
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n/an/a 32n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 32n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 33n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 35n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50308189
PNG
(2-(3-Chloro-4-hydroxyanilino)-5,7-dihydro-6H-pyrim...)
Show SMILES Oc1ccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)cc1Cl
Show InChI InChI=1S/C18H13ClN4O2/c19-13-8-11(5-6-15(13)24)21-18-20-9-10-7-16(25)22-14-4-2-1-3-12(14)17(10)23-18/h1-6,8-9,24H,7H2,(H,22,25)(H,20,21,23)
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n/an/a 35n/an/an/an/an/an/a



Technische Universitat Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP


J Med Chem 53: 2433-42 (2010)


Article DOI: 10.1021/jm901388c
BindingDB Entry DOI: 10.7270/Q24J0G22
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097862
PNG
(CHEMBL3589673)
Show SMILES COc1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-12-10(7-8)15-13(16(19-12)17(21)22)9-3-2-4-11(18)14(9)20-15/h2-7,20H,1H3,(H,21,22)
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n/an/a 39n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097867
PNG
(CHEMBL3589660)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 40n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097863
PNG
(CHEMBL3589674)
Show SMILES COc1cccc(c1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-5-2-4-12(10-14)13-8-9-18-16(11-13)21-19(22(25-18)23(27)28)15-6-3-7-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 41n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 42n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50097867
PNG
(CHEMBL3589660)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50308192
PNG
(2-(4-Methoxyanilino)-9-methoxy-5,7-dihydro-6H-pyri...)
Show SMILES COc1ccc(Nc2ncc3CC(=O)Nc4cc(OC)ccc4-c3n2)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-14-5-3-13(4-6-14)22-20-21-11-12-9-18(25)23-17-10-15(27-2)7-8-16(17)19(12)24-20/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,21,22,24)
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Technische Universitat Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP


J Med Chem 53: 2433-42 (2010)


Article DOI: 10.1021/jm901388c
BindingDB Entry DOI: 10.7270/Q24J0G22
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50145391
PNG
((1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBE...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)NC)N(Cc4ccc(O)c(OC)c4)C(=O)O3)[C@@H]12 |c:13,t:11|
Show InChI InChI=1S/C34H48N2O7/c1-7-21(3)33(39)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(38)35-5)36(34(40)42-26)19-23-9-13-28(37)29(16-23)41-6/h8-10,13-14,16,20-22,25-27,30,32,37H,7,11-12,15,17-19H2,1-6H3,(H,35,38)/t20-,21-,22-,25+,26+,27-,30-,32-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant ICAM-1 binding to purified immobilized LFA-1 using cell-free assay


Bioorg Med Chem Lett 14: 2483-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.006
BindingDB Entry DOI: 10.7270/Q2N58KT2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50145392
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)OC)N(Cc4ccc(O)c(OC)c4)C(=O)O3)[C@@H]12 |c:13,t:11|
Show InChI InChI=1S/C34H47NO8/c1-7-21(3)33(38)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(37)41-6)35(34(39)42-26)19-23-9-13-28(36)29(16-23)40-5/h8-10,13-14,16,20-22,25-27,30,32,36H,7,11-12,15,17-19H2,1-6H3/t20-,21-,22-,25+,26+,27-,30-,32-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of HUT78 cell adhesion to immobilized ICAM-1 protein


Bioorg Med Chem Lett 14: 2483-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.006
BindingDB Entry DOI: 10.7270/Q2N58KT2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9|
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 50n/an/an/an/an/an/a



ZAFES/LiFF/Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins


J Med Chem 53: 4691-700 (2010)


Article DOI: 10.1021/jm1003073
BindingDB Entry DOI: 10.7270/Q2N016PB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50308184
PNG
(2-(3-Hydroxyanilino)-5,7-dihydro-6H-pyrimido[5,4-d...)
Show SMILES Oc1cccc(Nc2ncc3CC(=O)Nc4ccccc4-c3n2)c1
Show InChI InChI=1S/C18H14N4O2/c23-13-5-3-4-12(9-13)20-18-19-10-11-8-16(24)21-15-7-2-1-6-14(15)17(11)22-18/h1-7,9-10,23H,8H2,(H,21,24)(H,19,20,22)
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n/an/a 51n/an/an/an/an/an/a



Technische Universitat Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP


J Med Chem 53: 2433-42 (2010)


Article DOI: 10.1021/jm901388c
BindingDB Entry DOI: 10.7270/Q24J0G22
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50308193
PNG
(2-(4-Ethoxyanilino)-9-methoxy-5,7-dihydro-6H-pyrim...)
Show SMILES CCOc1ccc(Nc2ncc3CC(=O)Nc4cc(OC)ccc4-c3n2)cc1
Show InChI InChI=1S/C21H20N4O3/c1-3-28-15-6-4-14(5-7-15)23-21-22-12-13-10-19(26)24-18-11-16(27-2)8-9-17(18)20(13)25-21/h4-9,11-12H,3,10H2,1-2H3,(H,24,26)(H,22,23,25)
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n/an/a 52n/an/an/an/an/an/a



Technische Universitat Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP


J Med Chem 53: 2433-42 (2010)


Article DOI: 10.1021/jm901388c
BindingDB Entry DOI: 10.7270/Q24J0G22
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097865
PNG
(CHEMBL3589774)
Show SMILES OC(=O)c1nc2ccsc2c2[nH]c3c(Cl)cccc3c12
Show InChI InChI=1S/C14H7ClN2O2S/c15-7-3-1-2-6-9-11(17-10(6)7)13-8(4-5-20-13)16-12(9)14(18)19/h1-5,17H,(H,18,19)
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n/an/a 53n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 55n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097864
PNG
(CHEMBL3589675)
Show SMILES COc1ccc(cc1)-c1ccc2nc(C(O)=O)c3c4cccc(Cl)c4[nH]c3c2c1
Show InChI InChI=1S/C23H15ClN2O3/c1-29-14-8-5-12(6-9-14)13-7-10-18-16(11-13)21-19(22(25-18)23(27)28)15-3-2-4-17(24)20(15)26-21/h2-11,26H,1H3,(H,27,28)
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n/an/a 56n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM50097867
PNG
(CHEMBL3589660)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Cl)cccc3c12
Show InChI InChI=1S/C16H9ClN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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n/an/a 61n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
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n/an/a 68n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 70n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min...


Eur J Med Chem 53: 254-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.007
BindingDB Entry DOI: 10.7270/Q2W66MT7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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