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Compile Data Set for Download or QSAR

Found 859 hits from Cardiff University   
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
Dihydrofolate reductase


(Homo sapiens (human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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0.0380n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50077798
PNG
(2-{4-[(3-Carboxy-propyl)-(2,4-diamino-pteridin-6-y...)
Show SMILES Nc1nc(N)c2nc(CN(CCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C23H26N8O7/c24-19-18-20(30-23(25)29-19)26-10-13(27-18)11-31(9-1-2-16(32)33)14-5-3-12(4-6-14)21(36)28-15(22(37)38)7-8-17(34)35/h3-6,10,15H,1-2,7-9,11H2,(H,28,36)(H,32,33)(H,34,35)(H,37,38)(H4,24,25,26,29,30)
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0.107n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50077796
PNG
(2-{4-[(4-Carboxy-butyl)-(2,4-diamino-pteridin-6-yl...)
Show SMILES Nc1nc(N)c2nc(CN(CCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C24H28N8O7/c25-20-19-21(31-24(26)30-20)27-11-14(28-19)12-32(10-2-1-3-17(33)34)15-6-4-13(5-7-15)22(37)29-16(23(38)39)8-9-18(35)36/h4-7,11,16H,1-3,8-10,12H2,(H,29,37)(H,33,34)(H,35,36)(H,38,39)(H4,25,26,27,30,31)
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0.131n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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0.179n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase in humans


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50077799
PNG
(2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...)
Show SMILES Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C25H30N8O7/c26-21-20-22(32-25(27)31-21)28-12-15(29-20)13-33(11-3-1-2-4-18(34)35)16-7-5-14(6-8-16)23(38)30-17(24(39)40)9-10-19(36)37/h5-8,12,17H,1-4,9-11,13H2,(H,30,38)(H,34,35)(H,36,37)(H,39,40)(H4,26,27,28,31,32)
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0.183n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50077796
PNG
(2-{4-[(4-Carboxy-butyl)-(2,4-diamino-pteridin-6-yl...)
Show SMILES Nc1nc(N)c2nc(CN(CCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C24H28N8O7/c25-20-19-21(31-24(26)30-20)27-11-14(28-19)12-32(10-2-1-3-17(33)34)15-6-4-13(5-7-15)22(37)29-16(23(38)39)8-9-18(35)36/h4-7,11,16H,1-3,8-10,12H2,(H,29,37)(H,33,34)(H,35,36)(H,38,39)(H4,25,26,27,30,31)
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1.5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase in humans


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50077799
PNG
(2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...)
Show SMILES Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C25H30N8O7/c26-21-20-22(32-25(27)31-21)28-12-15(29-20)13-33(11-3-1-2-4-18(34)35)16-7-5-14(6-8-16)23(38)30-17(24(39)40)9-10-19(36)37/h5-8,12,17H,1-4,9-11,13H2,(H,30,38)(H,34,35)(H,36,37)(H,39,40)(H4,26,27,28,31,32)
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1.60n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50077798
PNG
(2-{4-[(3-Carboxy-propyl)-(2,4-diamino-pteridin-6-y...)
Show SMILES Nc1nc(N)c2nc(CN(CCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C23H26N8O7/c24-19-18-20(30-23(25)29-19)26-10-13(27-18)11-31(9-1-2-16(32)33)14-5-3-12(4-6-14)21(36)28-15(22(37)38)7-8-17(34)35/h3-6,10,15H,1-2,7-9,11H2,(H,28,36)(H,32,33)(H,34,35)(H,37,38)(H4,24,25,26,29,30)
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2n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase in humans


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081905
PNG
(5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)
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3.60n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50023359
PNG
(CHEMBL3329778)
Show SMILES CC(C)(C)C(=O)C(=C\c1ccc(\C=C\c2ccccc2)cc1)\n1ccnc1
Show InChI InChI=1S/C24H24N2O/c1-24(2,3)23(27)22(26-16-15-25-18-26)17-21-13-11-20(12-14-21)10-9-19-7-5-4-6-8-19/h4-18H,1-3H3/b10-9+,22-17-
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5.70n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081918
PNG
(5-(4-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4O/c1-2-7-19-12-5-3-10(4-6-12)8-11-9-17-14(16)18-13(11)15/h3-6,9H,2,7-8H2,1H3,(H4,15,16,17,18)
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6.40n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Rattus norvegicus)
BDBM50240990
PNG
(2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole | 5-...)
Show SMILES COc1ccc(cc1OC)-c1nc2cc(F)ccc2s1
Show InChI InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3
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6.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Displacement of [3H]tetrachlorodibenzo-p-dioxin from aryl hydrocarbon receptor in CRL:WI rat liver cytosol


J Med Chem 51: 5135-9 (2008)


Article DOI: 10.1021/jm800418z
BindingDB Entry DOI: 10.7270/Q23X86F6
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081916
PNG
(5-(3-Pentyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Show SMILES CCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C16H22N4O/c1-2-3-4-8-21-14-7-5-6-12(10-14)9-13-11-19-16(18)20-15(13)17/h5-7,10-11H,2-4,8-9H2,1H3,(H4,17,18,19,20)
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7.10n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023348
PNG
(CHEMBL3329769)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)c1
Show InChI InChI=1S/C28H27N3O3/c1-33-25-16-22(17-26(18-25)34-2)9-8-21-10-12-24(13-11-21)28(32)30-19-27(31-15-14-29-20-31)23-6-4-3-5-7-23/h3-18,20,27H,19H2,1-2H3,(H,30,32)/b9-8+
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7.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081907
PNG
(5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-4-9(7-11)6-10-8-16-13(15)17-12(10)14/h3-5,7-8H,2,6H2,1H3,(H4,14,15,16,17)
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8.60n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081922
PNG
(5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...)
Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)
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8.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081908
PNG
(5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES COc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C12H14N4O/c1-17-10-4-2-3-8(6-10)5-9-7-15-12(14)16-11(9)13/h2-4,6-7H,5H2,1H3,(H4,13,14,15,16)
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9.60n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023349
PNG
(CHEMBL3329770)
Show SMILES COc1cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc(OC)c1OC
Show InChI InChI=1S/C29H29N3O4/c1-34-26-17-22(18-27(35-2)28(26)36-3)10-9-21-11-13-24(14-12-21)29(33)31-19-25(32-16-15-30-20-32)23-7-5-4-6-8-23/h4-18,20,25H,19H2,1-3H3,(H,31,33)/b10-9+
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9.70n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081921
PNG
(5-(4-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
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9.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081917
PNG
(5-(3-Hexyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...)
Show SMILES CCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-9-22-15-8-6-7-13(11-15)10-14-12-20-17(19)21-16(14)18/h6-8,11-12H,2-5,9-10H2,1H3,(H4,18,19,20,21)
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9.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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10n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli


J Med Chem 47: 3427-37 (2004)


Article DOI: 10.1021/jm031066i
BindingDB Entry DOI: 10.7270/Q2S1837H
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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10n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081920
PNG
(5-(3-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)
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10.5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023355
PNG
(CHEMBL3329774)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OC(=O)n3ccnc3)C(C)(C)C)cc2)c1
Show InChI InChI=1S/C27H32N2O4/c1-27(2,3)25(33-26(30)29-15-14-28-19-29)13-12-21-8-6-20(7-9-21)10-11-22-16-23(31-4)18-24(17-22)32-5/h6-11,14-19,25H,12-13H2,1-5H3/b11-10+
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11n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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11n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081909
PNG
(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1
Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)
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11n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081915
PNG
(5-[3-(Tetrahydro-pyran-2-yloxy)-benzyl]-pyrimidine...)
Show SMILES Nc1ncc(Cc2cccc(OC3CCCCO3)c2)c(N)n1
Show InChI InChI=1S/C16H20N4O2/c17-15-12(10-19-16(18)20-15)8-11-4-3-5-13(9-11)22-14-6-1-2-7-21-14/h3-5,9-10,14H,1-2,6-8H2,(H4,17,18,19,20)
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13n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023359
PNG
(CHEMBL3329778)
Show SMILES CC(C)(C)C(=O)C(=C\c1ccc(\C=C\c2ccccc2)cc1)\n1ccnc1
Show InChI InChI=1S/C24H24N2O/c1-24(2,3)23(27)22(26-16-15-25-18-26)17-21-13-11-20(12-14-21)10-9-19-7-5-4-6-8-19/h4-18H,1-3H3/b10-9+,22-17-
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13n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027702
PNG
(CHEMBL3344394)
Show SMILES C(CCn1ccc2c(\C=C\c3ccccc3)cccc12)Cn1ccnc1
Show InChI InChI=1S/C23H23N3/c1-2-7-20(8-3-1)11-12-21-9-6-10-23-22(21)13-17-26(23)16-5-4-15-25-18-14-24-19-25/h1-3,6-14,17-19H,4-5,15-16H2/b12-11+
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14n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50077794
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(3-ethoxyc...)
Show SMILES CCOC(=O)CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC
Show InChI InChI=1S/C29H38N8O7/c1-4-42-22(38)8-7-15-37(17-19-16-32-26-24(33-19)25(30)35-29(31)36-26)20-11-9-18(10-12-20)27(40)34-21(28(41)44-6-3)13-14-23(39)43-5-2/h9-12,16,21H,4-8,13-15,17H2,1-3H3,(H,34,40)(H4,30,31,32,35,36)
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14n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027700
PNG
(CHEMBL3344395)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCCn4ccnc4)ccc23)c1
Show InChI InChI=1S/C25H27N3O2/c1-29-22-16-20(17-23(18-22)30-2)8-9-21-6-5-7-25-24(21)10-14-28(25)13-4-3-12-27-15-11-26-19-27/h5-11,14-19H,3-4,12-13H2,1-2H3/b9-8+
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14n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50027700
PNG
(CHEMBL3344395)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCCn4ccnc4)ccc23)c1
Show InChI InChI=1S/C25H27N3O2/c1-29-22-16-20(17-23(18-22)30-2)8-9-21-6-5-7-25-24(21)10-14-28(25)13-4-3-12-27-15-11-26-19-27/h5-11,14-19H,3-4,12-13H2,1-2H3/b9-8+
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17n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP27B1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023346
PNG
(CHEMBL3329767)
Show SMILES Fc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1
Show InChI InChI=1S/C26H22FN3O/c27-24-14-10-21(11-15-24)7-6-20-8-12-23(13-9-20)26(31)29-18-25(30-17-16-28-19-30)22-4-2-1-3-5-22/h1-17,19,25H,18H2,(H,29,31)/b7-6+
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19n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081906
PNG
(6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diam...)
Show SMILES CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1
Show InChI InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)
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19n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023363
PNG
(CHEMBL3360784)
Show SMILES C[C@H](Cn1ccnc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=C)[C@H](O)C1
Show InChI InChI=1S/C25H36N2O2/c1-17(15-27-12-11-26-16-27)21-8-9-22-20(5-4-10-25(21,22)3)7-6-19-13-23(28)18(2)24(29)14-19/h6-7,11-12,16-17,21-24,28-29H,2,4-5,8-10,13-15H2,1,3H3/b20-7+/t17-,21-,22+,23-,24-,25-/m1/s1
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21n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50027682
PNG
(CHEMBL3344393)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCn4ccnc4)ccc23)c1
Show InChI InChI=1S/C24H25N3O2/c1-28-21-15-19(16-22(17-21)29-2)7-8-20-5-3-6-24-23(20)9-13-27(24)12-4-11-26-14-10-25-18-26/h3,5-10,13-18H,4,11-12H2,1-2H3/b8-7+
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22n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP27B1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081922
PNG
(5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...)
Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)
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23n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023347
PNG
(CHEMBL3329768)
Show SMILES COc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1
Show InChI InChI=1S/C27H25N3O2/c1-32-25-15-11-22(12-16-25)8-7-21-9-13-24(14-10-21)27(31)29-19-26(30-18-17-28-20-30)23-5-3-2-4-6-23/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+
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24n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50081910
PNG
(5-(3-Octyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...)
Show SMILES CCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C19H28N4O/c1-2-3-4-5-6-7-11-24-17-10-8-9-15(13-17)12-16-14-22-19(21)23-18(16)20/h8-10,13-14H,2-7,11-12H2,1H3,(H4,20,21,22,23)
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24n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50027694
PNG
(CHEMBL3344397)
Show SMILES C(CCn1ccc2cc(\C=C\c3ccccc3)ccc12)Cn1ccnc1
Show InChI InChI=1S/C23H23N3/c1-2-6-20(7-3-1)8-9-21-10-11-23-22(18-21)12-16-26(23)15-5-4-14-25-17-13-24-19-25/h1-3,6-13,16-19H,4-5,14-15H2/b9-8+
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24n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP27B1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50027702
PNG
(CHEMBL3344394)
Show SMILES C(CCn1ccc2c(\C=C\c3ccccc3)cccc12)Cn1ccnc1
Show InChI InChI=1S/C23H23N3/c1-2-7-20(8-3-1)11-12-21-9-6-10-23-22(21)13-17-26(23)16-5-4-15-25-18-14-24-19-25/h1-3,6-14,17-19H,4-5,15-16H2/b12-11+
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25n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP27B1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027683
PNG
(CHEMBL3344392)
Show SMILES C(Cn1ccnc1)Cn1ccc2c(\C=C\c3ccccc3)cccc12
Show InChI InChI=1S/C22H21N3/c1-2-6-19(7-3-1)10-11-20-8-4-9-22-21(20)12-16-25(22)15-5-14-24-17-13-23-18-24/h1-4,6-13,16-18H,5,14-15H2/b11-10+
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26n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50023348
PNG
(CHEMBL3329769)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)c1
Show InChI InChI=1S/C28H27N3O3/c1-33-25-16-22(17-26(18-25)34-2)9-8-21-10-12-24(13-11-21)28(32)30-19-27(31-15-14-29-20-31)23-6-4-3-5-7-23/h3-18,20,27H,19H2,1-2H3,(H,30,32)/b9-8+
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26n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322357
PNG
((E)-4-N-(2-(1H-imidazol-1-yl)-2-phenylethyl)-4-sty...)
Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C26H23N3O/c30-26(24-15-13-22(14-16-24)12-11-21-7-3-1-4-8-21)28-19-25(29-18-17-27-20-29)23-9-5-2-6-10-23/h1-18,20,25H,19H2,(H,28,30)/b12-11+
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28n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027682
PNG
(CHEMBL3344393)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCn4ccnc4)ccc23)c1
Show InChI InChI=1S/C24H25N3O2/c1-28-21-15-19(16-22(17-21)29-2)7-8-20-5-3-6-24-23(20)9-13-27(24)12-4-11-26-14-10-25-18-26/h3,5-10,13-18H,4,11-12H2,1-2H3/b8-7+
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31n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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33n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50023355
PNG
(CHEMBL3329774)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OC(=O)n3ccnc3)C(C)(C)C)cc2)c1
Show InChI InChI=1S/C27H32N2O4/c1-27(2,3)25(33-26(30)29-15-14-28-19-29)13-12-21-8-6-20(7-9-21)10-11-22-16-23(31-4)18-24(17-22)32-5/h6-11,14-19,25H,12-13H2,1-5H3/b11-10+
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33n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50027683
PNG
(CHEMBL3344392)
Show SMILES C(Cn1ccnc1)Cn1ccc2c(\C=C\c3ccccc3)cccc12
Show InChI InChI=1S/C22H21N3/c1-2-6-19(7-3-1)10-11-20-8-4-9-22-21(20)12-16-25(22)15-5-14-24-17-13-23-18-24/h1-4,6-13,16-18H,5,14-15H2/b11-10+
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34n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP27B1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50148780
PNG
(((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...)
Show SMILES CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(=O)NO
Show InChI InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1
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35n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli


J Med Chem 47: 3427-37 (2004)


Article DOI: 10.1021/jm031066i
BindingDB Entry DOI: 10.7270/Q2S1837H
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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35n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
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