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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'rudolph' and Initial = 'sk'   
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
Dihydrofolate reductase


(Candida albicans)
BDBM50049912
PNG
(7-(1,1-Dimethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]...)
Show SMILES CCC(C)(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-5-16(3,4)21-9(2)8-10-12(21)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20)
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PubMed
0.00710n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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Article
PubMed
0.0250n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Candida albicans)
BDBM50049905
PNG
(7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quina...)
Show SMILES CCC(CC)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-4-10(5-2)21-9(3)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-8,10H,4-5H2,1-3H3,(H4,17,18,19,20)
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0.0300n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049901
PNG
(7-sec-Butyl-8-ethyl-7H-pyrrolo[3,2-f]quinazoline-1...)
Show SMILES CCC(C)n1c(CC)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-4-9(3)21-10(5-2)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-9H,4-5H2,1-3H3,(H4,17,18,19,20)
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0.100n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049907
PNG
(7-(1-Ethyl-propyl)-8-isopropyl-7H-pyrrolo[3,2-f]qu...)
Show SMILES CCC(CC)n1c(cc2c1ccc1nc(N)nc(N)c21)C(C)C
Show InChI InChI=1S/C18H25N5/c1-5-11(6-2)23-14-8-7-13-16(17(19)22-18(20)21-13)12(14)9-15(23)10(3)4/h7-11H,5-6H2,1-4H3,(H4,19,20,21,22)
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0.100n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049906
PNG
(7-tert-Butyl-8-ethyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1C(C)(C)C
Show InChI InChI=1S/C16H21N5/c1-5-9-8-10-12(21(9)16(2,3)4)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20)
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0.100n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049911
PNG
(8-tert-Butyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diam...)
Show SMILES CC(C)(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1
Show InChI InChI=1S/C14H17N5/c1-14(2,3)10-6-7-8(17-10)4-5-9-11(7)12(15)19-13(16)18-9/h4-6,17H,1-3H3,(H4,15,16,18,19)
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0.120n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049898
PNG
(8-Isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...)
Show SMILES CC(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1
Show InChI InChI=1S/C13H15N5/c1-6(2)10-5-7-8(16-10)3-4-9-11(7)12(14)18-13(15)17-9/h3-6,16H,1-2H3,(H4,14,15,17,18)
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0.160n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049909
PNG
(8-tert-Butyl-7-isopropyl-7H-pyrrolo[3,2-f]quinazol...)
Show SMILES CC(C)n1c(cc2c1ccc1nc(N)nc(N)c21)C(C)(C)C
Show InChI InChI=1S/C17H23N5/c1-9(2)22-12-7-6-11-14(15(18)21-16(19)20-11)10(12)8-13(22)17(3,4)5/h6-9H,1-5H3,(H4,18,19,20,21)
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0.200n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049897
PNG
(8-Ethyl-7-(1-ethyl-propyl)-7H-pyrrolo[3,2-f]quinaz...)
Show SMILES CCC(CC)n1c(CC)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C17H23N5/c1-4-10(5-2)22-11(6-3)9-12-14(22)8-7-13-15(12)16(18)21-17(19)20-13/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21)
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0.200n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049899
PNG
(7-Isopropyl-8-methyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CC(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C14H17N5/c1-7(2)19-8(3)6-9-11(19)5-4-10-12(9)13(15)18-14(16)17-10/h4-7H,1-3H3,(H4,15,16,17,18)
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0.220n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM18043
PNG
(1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QU...)
Show SMILES CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
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0.220n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049914
PNG
(7-(3,4,5-Trimethoxy-benzyl)-7H-pyrrolo[3,2-f]quina...)
Show SMILES COc1cc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc(OC)c1OC
Show InChI InChI=1S/C20H21N5O3/c1-26-15-8-11(9-16(27-2)18(15)28-3)10-25-7-6-12-14(25)5-4-13-17(12)19(21)24-20(22)23-13/h4-9H,10H2,1-3H3,(H4,21,22,23,24)
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0.230n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049905
PNG
(7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quina...)
Show SMILES CCC(CC)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-4-10(5-2)21-9(3)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-8,10H,4-5H2,1-3H3,(H4,17,18,19,20)
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0.300n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049902
PNG
(7,8-Diethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1CC
Show InChI InChI=1S/C14H17N5/c1-3-8-7-9-11(19(8)4-2)6-5-10-12(9)13(15)18-14(16)17-10/h5-7H,3-4H2,1-2H3,(H4,15,16,17,18)
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0.330n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049913
PNG
(7-Ethyl-8-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1...)
Show SMILES CCn1c(cc2c1ccc1nc(N)nc(N)c21)C(C)C
Show InChI InChI=1S/C15H19N5/c1-4-20-11-6-5-10-13(14(16)19-15(17)18-10)9(11)7-12(20)8(2)3/h5-8H,4H2,1-3H3,(H4,16,17,18,19)
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0.330n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049896
PNG
(8-Butyl-7-tert-butyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CCCCc1cc2c(ccc3nc(N)nc(N)c23)n1C(C)(C)C
Show InChI InChI=1S/C18H25N5/c1-5-6-7-11-10-12-14(23(11)18(2,3)4)9-8-13-15(12)16(19)22-17(20)21-13/h8-10H,5-7H2,1-4H3,(H4,19,20,21,22)
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0.380n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049912
PNG
(7-(1,1-Dimethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]...)
Show SMILES CCC(C)(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-5-16(3,4)21-9(2)8-10-12(21)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20)
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0.400n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049903
PNG
(7-(1-Ethyl-propyl)-8-propyl-7H-pyrrolo[3,2-f]quina...)
Show SMILES CCCc1cc2c(ccc3nc(N)nc(N)c23)n1C(CC)CC
Show InChI InChI=1S/C18H25N5/c1-4-7-12-10-13-15(23(12)11(5-2)6-3)9-8-14-16(13)17(19)22-18(20)21-14/h8-11H,4-7H2,1-3H3,(H4,19,20,21,22)
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0.400n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049910
PNG
(7-Ethyl-8-propyl-7H-pyrrolo[3,2-f]quinazoline-1,3-...)
Show SMILES CCCc1cc2c(ccc3nc(N)nc(N)c23)n1CC
Show InChI InChI=1S/C15H19N5/c1-3-5-9-8-10-12(20(9)4-2)7-6-11-13(10)14(16)19-15(17)18-11/h6-8H,3-5H2,1-2H3,(H4,16,17,18,19)
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0.650n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049915
PNG
(8-Ethyl-7-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1C
Show InChI InChI=1S/C13H15N5/c1-3-7-6-8-10(18(7)2)5-4-9-11(8)12(14)17-13(15)16-9/h4-6H,3H2,1-2H3,(H4,14,15,16,17)
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1.30n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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1.40n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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1.90n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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1.90n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049908
PNG
(7,8-Dimethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diam...)
Show SMILES Cc1cc2c(ccc3nc(N)nc(N)c23)n1C
Show InChI InChI=1S/C12H13N5/c1-6-5-7-9(17(6)2)4-3-8-10(7)11(13)16-12(14)15-8/h3-5H,1-2H3,(H4,13,14,15,16)
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2n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18043
PNG
(1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QU...)
Show SMILES CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
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4.5n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049914
PNG
(7-(3,4,5-Trimethoxy-benzyl)-7H-pyrrolo[3,2-f]quina...)
Show SMILES COc1cc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc(OC)c1OC
Show InChI InChI=1S/C20H21N5O3/c1-26-15-8-11(9-16(27-2)18(15)28-3)10-25-7-6-12-14(25)5-4-13-17(12)19(21)24-20(22)23-13/h4-9H,10H2,1-3H3,(H4,21,22,23,24)
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6n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049899
PNG
(7-Isopropyl-8-methyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CC(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C14H17N5/c1-7(2)19-8(3)6-9-11(19)5-4-10-12(9)13(15)18-14(16)17-10/h4-7H,1-3H3,(H4,15,16,17,18)
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6.40n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049898
PNG
(8-Isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...)
Show SMILES CC(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1
Show InChI InChI=1S/C13H15N5/c1-6(2)10-5-7-8(16-10)3-4-9-11(7)12(14)18-13(15)17-9/h3-6,16H,1-2H3,(H4,14,15,17,18)
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10n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049902
PNG
(7,8-Diethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1CC
Show InChI InChI=1S/C14H17N5/c1-3-8-7-9-11(19(8)4-2)6-5-10-12(9)13(15)18-14(16)17-10/h5-7H,3-4H2,1-2H3,(H4,15,16,17,18)
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10n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049904
PNG
(7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine | CHEMBL3...)
Show SMILES Nc1nc(N)c2c3cc[nH]c3ccc2n1
Show InChI InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4,13H,(H4,11,12,14,15)
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23n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049910
PNG
(7-Ethyl-8-propyl-7H-pyrrolo[3,2-f]quinazoline-1,3-...)
Show SMILES CCCc1cc2c(ccc3nc(N)nc(N)c23)n1CC
Show InChI InChI=1S/C15H19N5/c1-3-5-9-8-10-12(20(9)4-2)7-6-11-13(10)14(16)19-15(17)18-11/h6-8H,3-5H2,1-2H3,(H4,16,17,18,19)
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24n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Candida albicans)
BDBM50049900
PNG
(7-Methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine ...)
Show SMILES Cn1ccc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C11H11N5/c1-16-5-4-6-8(16)3-2-7-9(6)10(12)15-11(13)14-7/h2-5H,1H3,(H4,12,13,14,15)
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25n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049915
PNG
(8-Ethyl-7-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1C
Show InChI InChI=1S/C13H15N5/c1-3-7-6-8-10(18(7)2)5-4-9-11(8)12(14)17-13(15)16-9/h4-6H,3H2,1-2H3,(H4,14,15,16,17)
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29n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049896
PNG
(8-Butyl-7-tert-butyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CCCCc1cc2c(ccc3nc(N)nc(N)c23)n1C(C)(C)C
Show InChI InChI=1S/C18H25N5/c1-5-6-7-11-10-12-14(23(11)18(2,3)4)9-8-13-15(12)16(19)22-17(20)21-13/h8-10H,5-7H2,1-4H3,(H4,19,20,21,22)
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30n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049908
PNG
(7,8-Dimethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diam...)
Show SMILES Cc1cc2c(ccc3nc(N)nc(N)c23)n1C
Show InChI InChI=1S/C12H13N5/c1-6-5-7-9(17(6)2)4-3-8-10(7)11(13)16-12(14)15-8/h3-5H,1-2H3,(H4,13,14,15,16)
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87n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049900
PNG
(7-Methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine ...)
Show SMILES Cn1ccc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C11H11N5/c1-16-5-4-6-8(16)3-2-7-9(6)10(12)15-11(13)14-7/h2-5H,1H3,(H4,12,13,14,15)
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230n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50049904
PNG
(7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine | CHEMBL3...)
Show SMILES Nc1nc(N)c2c3cc[nH]c3ccc2n1
Show InChI InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4,13H,(H4,11,12,14,15)
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1.00E+3n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dihydrofolate reductase enzyme


J Med Chem 39: 892-903 (1996)


Article DOI: 10.1021/jm9505122
BindingDB Entry DOI: 10.7270/Q2XD10RC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26477
PNG
(5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 0.600n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26467
PNG
(3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrim...)
Show SMILES CN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C19H19N7O2S/c1-12-16-7-6-14(11-17(16)25-24-12)26(2)18-8-9-21-19(23-18)22-13-4-3-5-15(10-13)29(20,27)28/h3-11H,1-2H3,(H,24,25)(H2,20,27,28)(H,21,22,23)
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n/an/a 0.600n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5828
PNG
(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Show SMILES CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C25H21F4N7O3S/c1-36(22-11-12-31-23(35-22)32-17-3-2-4-19(14-17)40(30,38)39)18-8-6-16(7-9-18)33-24(37)34-21-13-15(25(27,28)29)5-10-20(21)26/h2-14H,1H3,(H2,30,38,39)(H,31,32,35)(H2,33,34,37)
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n/an/a 1n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5829
PNG
(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Show SMILES CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C25H21F4N7O3S/c1-36(22-12-13-31-23(35-22)32-16-5-9-19(10-6-16)40(30,38)39)18-7-3-17(4-8-18)33-24(37)34-21-14-15(25(27,28)29)2-11-20(21)26/h2-14H,1H3,(H2,30,38,39)(H,31,32,35)(H2,33,34,37)
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n/an/a 1n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26478
PNG
(6,7-dimethoxy-N-(3-methyl-1H-indazol-6-yl)quinazol...)
Show SMILES COc1cc2ncnc(Nc3ccc4c(C)n[nH]c4c3)c2cc1OC
Show InChI InChI=1S/C18H17N5O2/c1-10-12-5-4-11(6-15(12)23-22-10)21-18-13-7-16(24-2)17(25-3)8-14(13)19-9-20-18/h4-9H,1-3H3,(H,22,23)(H,19,20,21)
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n/an/a 1.70n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5827
PNG
(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[(2-{[...)
Show SMILES CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C27H24F4N6O3S/c1-37(24-13-14-32-25(36-24)33-19-6-3-17(4-7-19)16-41(2,39)40)21-10-8-20(9-11-21)34-26(38)35-23-15-18(27(29,30)31)5-12-22(23)28/h3-15H,16H2,1-2H3,(H,32,33,36)(H2,34,35,38)
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n/an/a 2n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5832
PNG
(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)
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n/an/a 2n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5833
PNG
(3-{4-[methyl({2-[(4-sulfamoylphenyl)amino]pyrimidi...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C25H22F3N7O4S/c1-35(22-14-15-30-23(34-22)31-16-6-12-21(13-7-16)40(29,37)38)19-8-2-17(3-9-19)32-24(36)33-18-4-10-20(11-5-18)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)
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n/an/a 2n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26470
PNG
(3-({4-[(2-benzyl-3-methyl-2H-indazol-6-yl)(methyl)...)
Show SMILES CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C26H25N7O2S/c1-18-23-12-11-21(16-24(23)31-33(18)17-19-7-4-3-5-8-19)32(2)25-13-14-28-26(30-25)29-20-9-6-10-22(15-20)36(27,34)35/h3-16H,17H2,1-2H3,(H2,27,34,35)(H,28,29,30)
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n/an/a 2.60n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5830
PNG
(1-(4-acetylphenyl)-3-{4-[(2-{[3-(methanesulfonylme...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C28H28N6O4S/c1-19(35)21-7-9-22(10-8-21)31-28(36)32-23-11-13-25(14-12-23)34(2)26-15-16-29-27(33-26)30-24-6-4-5-20(17-24)18-39(3,37)38/h4-17H,18H2,1-3H3,(H,29,30,33)(H2,31,32,36)
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n/an/a 3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5844
PNG
(3-{4-[(2-{[4-(methanesulfonylmethyl)phenyl]amino}p...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C32H38N8O3S/c1-38-18-20-40(21-19-38)22-24-4-8-27(9-5-24)35-32(41)36-28-12-14-29(15-13-28)39(2)30-16-17-33-31(37-30)34-26-10-6-25(7-11-26)23-44(3,42)43/h4-17H,18-23H2,1-3H3,(H,33,34,37)(H2,35,36,41)
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n/an/a 4n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26469
PNG
(3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)
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n/an/a 5.60n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
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