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Compile Data Set for Download or QSAR

Found 129 hits from Christian-Albrechts-University of Kiel   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240715
PNG
((S)-2-Amino-5-but-3-enimidoylamino-pentanoic acid ...)
Show SMILES CC=CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,4,7H,3,5-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240959
PNG
((S)-2-Amino-5-[N'-(2-methoxy-ethyl)-guanidino]-pen...)
Show SMILES COCCNC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295565
PNG
(3-[4'-(4''-Bromophenyl)benzoyl]-3,4-dihydro-8-meth...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H19BrN2O/c1-15-10-11-25-14-19(13-24-21(25)12-15)22(26)18-4-2-16(3-5-18)17-6-8-20(23)9-7-17/h2-12,19H,13-14H2,1H3/p+1
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1.40E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in insect Sf9 cells by competitive binding assay


Eur J Med Chem 44: 2877-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.007
BindingDB Entry DOI: 10.7270/Q2KD1ZV6
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295567
PNG
(3-[4'-(4''-Methoxyphenyl)benzoyl]-3,4-dihydro-8-me...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)C1CN[c+]2cc(C)ccn2C1
Show InChI InChI=1S/C23H22N2O2/c1-16-11-12-25-15-20(14-24-22(25)13-16)23(26)19-5-3-17(4-6-19)18-7-9-21(27-2)10-8-18/h3-13,20H,14-15H2,1-2H3/p+1
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1.50E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in insect Sf9 cells by competitive binding assay


Eur J Med Chem 44: 2877-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.007
BindingDB Entry DOI: 10.7270/Q2KD1ZV6
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50254452
PNG
(CHEMBL197234 | N-omega-propargyl-L-arginine)
Show SMILES N[C@@H](CCCN=C(N)NCC#C)C(O)=O
Show InChI InChI=1S/C9H16N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h1,7H,3-6,10H2,(H,14,15)(H3,11,12,13)/t7-/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Arginase-1


(Bos taurus)
BDBM50375814
PNG
(CHEMBL260628)
Show SMILES CN(CCC[C@H](N)C(O)=O)C(NO)N=O
Show InChI InChI=1S/C7H16N4O4/c1-11(7(9-14)10-15)4-2-3-5(8)6(12)13/h5,7,9,14H,2-4,8H2,1H3,(H,12,13)/t5-,7?/m0/s1
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1.71E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of bovine liver arginase


Bioorg Med Chem 16: 2305-12 (2008)


Article DOI: 10.1016/j.bmc.2007.11.066
BindingDB Entry DOI: 10.7270/Q2KW5GXN
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295568
PNG
(3,4-Dihydro-8-methyl-3-[2-(6-methylnaphthoyl)]-2H-...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc2cc(C)ccc2c1
Show InChI InChI=1S/C21H20N2O/c1-14-3-4-17-11-18(6-5-16(17)9-14)21(24)19-12-22-20-10-15(2)7-8-23(20)13-19/h3-11,19H,12-13H2,1-2H3/p+1
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2.30E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of mouse iNOS expressed in insect Sf9 cells by competitive binding assay


Eur J Med Chem 44: 2877-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.007
BindingDB Entry DOI: 10.7270/Q2KD1ZV6
More data for this
Ligand-Target Pair
Arginase-1


(Bos taurus)
BDBM50230418
PNG
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)
Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O
Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of bovine liver arginase


Bioorg Med Chem 16: 2305-12 (2008)


Article DOI: 10.1016/j.bmc.2007.11.066
BindingDB Entry DOI: 10.7270/Q2KW5GXN
More data for this
Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50255074
PNG
((S)-2-Amino-5-butyrimidoylamino-pentanoic acid | C...)
Show SMILES CCCC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50254449
PNG
(CHEMBL456882 | N5-(1-iminopent-3-enyl)-L-ornithine)
Show SMILES CCC=CC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C10H19N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h3,6,8H,2,4-5,7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50254451
PNG
(CHEMBL106423 | N-omega-(but-3-enyl)-L-arginine)
Show SMILES N[C@@H](CCCN=C(N)NCCC=C)C(O)=O
Show InChI InChI=1S/C10H20N4O2/c1-2-3-6-13-10(12)14-7-4-5-8(11)9(15)16/h2,8H,1,3-7,11H2,(H,15,16)(H3,12,13,14)/t8-/m0/s1
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5.70E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240714
PNG
((2S)-5-{[(allylamino)(iminio)methyl]amino}-2-ammon...)
Show SMILES N[C@@H](CCCN=C(N)NCC=C)C(O)=O
Show InChI InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/t7-/m0/s1
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5.80E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50240716
PNG
((S)-2-Amino-5-(N'-propyl-guanidino)-pentanoic acid...)
Show SMILES CCCNC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1
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9.00E+4n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dimethylarginine dimethylaminohydrolase 1 (DDAH)


(Homo sapiens (Human))
BDBM50254450
PNG
((S)-2-Amino-5-propionimidoylamino-pentanoic acid |...)
Show SMILES CCC(N)=NCCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
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1.45E+5n/an/an/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human DDAH1 by plate-reader assay


Bioorg Med Chem 16: 10205-9 (2008)


Article DOI: 10.1016/j.bmc.2008.10.058
BindingDB Entry DOI: 10.7270/Q23F4PG3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50192869
PNG
(CIS-3,4-DIHYDROHAMACANTHIN B)
Show SMILES Brc1ccc2c(c[nH]c2c1)[C@@H]1CNC(=O)[C@@H](N1)c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-24,26H,9H2,(H,25,27)/t18-,19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus pyruvate kinase by coupled lactate dehydrogenase continuous assay


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192877
PNG
(CHEMBL3358999)
Show SMILES COc1cc(ccc1O)-c1c[nH]c(=O)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O6/c1-25-15-7-11(5-6-14(15)23)13-10-21-20(24)18(22-13)12-8-16(26-2)19(28-4)17(9-12)27-3/h5-10,23H,1-4H3,(H,21,24)
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n/an/a 20n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192871
PNG
(CHEMBL3358996)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O5/c1-24-15-8-12(9-16(25-2)18(15)26-3)17-19(23)20-10-14(21-17)11-4-6-13(22)7-5-11/h4-10,22H,1-3H3,(H,20,23)
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n/an/a 100n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50192877
PNG
(CHEMBL3358999)
Show SMILES COc1cc(ccc1O)-c1c[nH]c(=O)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O6/c1-25-15-7-11(5-6-14(15)23)13-10-21-20(24)18(22-13)12-8-16(26-2)19(28-4)17(9-12)27-3/h5-10,23H,1-4H3,(H,21,24)
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n/an/a 200n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50192877
PNG
(CHEMBL3358999)
Show SMILES COc1cc(ccc1O)-c1c[nH]c(=O)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O6/c1-25-15-7-11(5-6-14(15)23)13-10-21-20(24)18(22-13)12-8-16(26-2)19(28-4)17(9-12)27-3/h5-10,23H,1-4H3,(H,21,24)
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n/an/a 200n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human c-KiT


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192878
PNG
(CHEMBL3358977)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C21H19N3O5/c1-27-17-6-11(7-18(28-2)20(17)29-3)19-21(26)23-10-16(24-19)14-9-22-15-5-4-12(25)8-13(14)15/h4-10,22,25H,1-3H3,(H,23,26)
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n/an/a 300n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50192871
PNG
(CHEMBL3358996)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O5/c1-24-15-8-12(9-16(25-2)18(15)26-3)17-19(23)20-10-14(21-17)11-4-6-13(22)7-5-11/h4-10,22H,1-3H3,(H,20,23)
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n/an/a 400n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human c-KiT


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a 500n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192850
PNG
(CHEMBL3358994)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17-19(23)21-10-14(22-17)11-5-4-6-13(20)7-11/h4-10H,1-3H3,(H,21,23)
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n/an/a 800n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a 900n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human c-KiT


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192859
PNG
(CHEMBL3358988)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccsc1
Show InChI InChI=1S/C17H16N2O4S/c1-21-13-6-11(7-14(22-2)16(13)23-3)15-17(20)18-8-12(19-15)10-4-5-24-9-10/h4-9H,1-3H3,(H,18,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192876
PNG
(CHEMBL3358978)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccc(C)cc12
Show InChI InChI=1S/C22H21N3O4/c1-12-5-6-16-14(7-12)15(10-23-16)17-11-24-22(26)20(25-17)13-8-18(27-2)21(29-4)19(9-13)28-3/h5-11,23H,1-4H3,(H,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50192878
PNG
(CHEMBL3358977)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C21H19N3O5/c1-27-17-6-11(7-18(28-2)20(17)29-3)19-21(26)23-10-16(24-19)14-9-22-15-5-4-12(25)8-13(14)15/h4-10,22,25H,1-3H3,(H,23,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192870
PNG
(CHEMBL3358985)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O4/c1-27-19-11-15(12-20(28-2)22(19)29-3)21-23(26)24-13-18(25-21)17-10-6-8-14-7-4-5-9-16(14)17/h4-13H,1-3H3,(H,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192846
PNG
(CHEMBL3358992)
Show SMILES COc1cccc(c1)-c1c[nH]c(=O)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O5/c1-24-14-7-5-6-12(8-14)15-11-21-20(23)18(22-15)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,23)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192857
PNG
(CHEMBL3358967)
Show SMILES COc1ccc(cc1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H17N3O3/c1-25-17-8-7-12(9-18(17)26-2)19-20(24)22-11-16(23-19)14-10-21-15-6-4-3-5-13(14)15/h3-11,21H,1-2H3,(H,22,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192856
PNG
(CHEMBL3358989)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C18H17N3O4/c1-23-14-7-12(8-15(24-2)17(14)25-3)16-18(22)20-10-13(21-16)11-5-4-6-19-9-11/h4-10H,1-3H3,(H,20,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192874
PNG
(CHEMBL3358997)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccccc1O
Show InChI InChI=1S/C19H18N2O5/c1-24-15-8-11(9-16(25-2)18(15)26-3)17-19(23)20-10-13(21-17)12-6-4-5-7-14(12)22/h4-10,22H,1-3H3,(H,20,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192866
PNG
(CHEMBL3358981)
Show SMILES COc1ccc2c(c[nH]c2c1)-c1c[nH]c(=O)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H21N3O5/c1-27-13-5-6-14-15(10-23-16(14)9-13)17-11-24-22(26)20(25-17)12-7-18(28-2)21(30-4)19(8-12)29-3/h5-11,23H,1-4H3,(H,24,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192860
PNG
(CHEMBL1986478)
Show SMILES O=c1[nH]cc(nc1-c1c[nH]c2ccccc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H14N4O/c25-20-19(15-10-22-17-8-4-2-6-13(15)17)24-18(11-23-20)14-9-21-16-7-3-1-5-12(14)16/h1-11,21-22H,(H,23,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192854
PNG
(CHEMBL3358987)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccoc1
Show InChI InChI=1S/C17H16N2O5/c1-21-13-6-11(7-14(22-2)16(13)23-3)15-17(20)18-8-12(19-15)10-4-5-24-9-10/h4-9H,1-3H3,(H,18,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50192871
PNG
(CHEMBL3358996)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C19H18N2O5/c1-24-15-8-12(9-16(25-2)18(15)26-3)17-19(23)20-10-14(21-17)11-4-6-13(22)7-5-11/h4-10,22H,1-3H3,(H,20,23)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50192850
PNG
(CHEMBL3358994)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17-19(23)21-10-14(22-17)11-5-4-6-13(20)7-11/h4-10H,1-3H3,(H,21,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human c-KiT


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50192878
PNG
(CHEMBL3358977)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C21H19N3O5/c1-27-17-6-11(7-18(28-2)20(17)29-3)19-21(26)23-10-16(24-19)14-9-22-15-5-4-12(25)8-13(14)15/h4-10,22,25H,1-3H3,(H,23,26)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human c-KiT


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192868
PNG
(CHEMBL3358983)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1coc2ccccc12
Show InChI InChI=1S/C21H18N2O5/c1-25-17-8-12(9-18(26-2)20(17)27-3)19-21(24)22-10-15(23-19)14-11-28-16-7-5-4-6-13(14)16/h4-11H,1-3H3,(H,22,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192841
PNG
(CHEMBL3358969)
Show SMILES COc1cc(OC)cc(c1)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H17N3O3/c1-25-13-7-12(8-14(9-13)26-2)19-20(24)22-11-18(23-19)16-10-21-17-6-4-3-5-15(16)17/h3-11,21H,1-2H3,(H,22,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192848
PNG
(CHEMBL3358995)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H17ClN2O4/c1-24-15-8-11(9-16(25-2)18(15)26-3)17-19(23)21-10-14(22-17)12-6-4-5-7-13(12)20/h4-10H,1-3H3,(H,21,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192851
PNG
(CHEMBL3358972)
Show SMILES CCOc1ccc(cc1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O3/c1-3-27-18-9-8-13(10-19(18)26-2)20-21(25)23-12-17(24-20)15-11-22-16-7-5-4-6-14(15)16/h4-12,22H,3H2,1-2H3,(H,23,25)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192842
PNG
(CHEMBL3358990)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccc[nH]1
Show InChI InChI=1S/C17H17N3O4/c1-22-13-7-10(8-14(23-2)16(13)24-3)15-17(21)19-9-12(20-15)11-5-4-6-18-11/h4-9,18H,1-3H3,(H,19,21)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50192846
PNG
(CHEMBL3358992)
Show SMILES COc1cccc(c1)-c1c[nH]c(=O)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O5/c1-24-14-7-5-6-12(8-14)15-11-21-20(23)18(22-15)13-9-16(25-2)19(27-4)17(10-13)26-3/h5-11H,1-4H3,(H,21,23)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human c-KiT


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192875
PNG
(CHEMBL3359000)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C19H18N2O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)17-19(22)20-11-14(21-17)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,22)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192855
PNG
(CHEMBL3358986)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N2O4/c1-27-19-11-17(12-20(28-2)22(19)29-3)21-23(26)24-13-18(25-21)16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H,24,26)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50192865
PNG
(CHEMBL3358982)
Show SMILES COC(=O)c1ccc2c(c[nH]c2c1)-c1c[nH]c(=O)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C23H21N3O6/c1-29-18-8-13(9-19(30-2)21(18)31-3)20-22(27)25-11-17(26-20)15-10-24-16-7-12(23(28)32-4)5-6-14(15)16/h5-11,24H,1-4H3,(H,25,27)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Nitric Oxide Synthase, inducible


(Mus musculus (mouse))
BDBM50295566
PNG
(3-[4'-(4''-Cyanophenyl)benzoyl]-3,4-dihydro-8-meth...)
Show SMILES Cc1ccn2CC(CN[c+]2c1)C(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H19N3O/c1-16-10-11-26-15-21(14-25-22(26)12-16)23(27)20-8-6-19(7-9-20)18-4-2-17(13-24)3-5-18/h2-12,21H,14-15H2,1H3/p+1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant iNOS expressed in Escherichia coli assessed as NADPH consumption after 2 mins by spectrophotometry


Eur J Med Chem 44: 2877-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.007
BindingDB Entry DOI: 10.7270/Q2KD1ZV6
More data for this
Ligand-Target Pair
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