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Compile Data Set for Download or QSAR

Found 26 hits of ic50 data for polymerid = 50006682,5288   
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
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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n/an/a 36n/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 27B1


(Homo sapiens (Human))
BDBM50261586
PNG
(CHEMBL4099180)
Show SMILES CN(C)CCn1nnnc1SCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1/C17H21Cl2N7OS/c1-24(2)7-8-26-16(21-22-23-26)28-11-17(27,10-25-6-5-20-12-25)14-4-3-13(18)9-15(14)19/h3-6,9,12,27H,7-8,10-11H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP27B1


Bioorg Med Chem 25: 5629-5636 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
BDBM50261589
PNG
(CHEMBL4081152)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(Cn1ccnc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1/C23H22Cl2N4O2S/c1-28(2)22-7-3-6-18-17(22)5-4-8-23(18)32(30,31)27-21(14-29-12-11-26-15-29)19-10-9-16(24)13-20(19)25/h3-13,15,21,27H,14H2,1-2H3
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n/an/a 95n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP27B1


Bioorg Med Chem 25: 5629-5636 (2017)

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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n/an/a 100n/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)
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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n/an/a 140n/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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n/an/a 150n/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)
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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n/an/a 150n/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)
BDBM50023348
PNG
(CHEMBL3329769)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)c1
Show InChI InChI=1/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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n/an/a 160n/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)
BDBM50023355
PNG
(CHEMBL3329774)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OC(=O)n3ccnc3)C(C)(C)C)cc2)c1
Show InChI InChI=1/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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n/an/a 200n/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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n/an/a 210n/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)
BDBM50023360
PNG
(CHEMBL3329779)
Show SMILES CC(C)(C)C(=O)C(Cc1ccc(CCc2ccccc2)cc1)n1ccnc1
Show InChI InChI=1/C24H28N2O/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/h4-8,11-16,18,22H,9-10,17H2,1-3H3
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n/an/a 230n/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)
BDBM50023347
PNG
(CHEMBL3329768)
Show SMILES COc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1
Show InChI InChI=1/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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n/an/a 240n/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)
BDBM50023350
PNG
(CHEMBL3329771)
Show SMILES Fc1ccc(CCc2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1
Show InChI InChI=1/C26H24FN3O/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/h1-5,8-17,19,25H,6-7,18H2,(H,29,31)
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n/an/a 280n/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)
BDBM50027699
PNG
(CHEMBL3344396)
Show SMILES C(Cn1ccnc1)Cn1ccc2cc(\C=C\c3ccccc3)ccc12
Show InChI InChI=1S/C22H21N3/c1-2-5-19(6-3-1)7-8-20-9-10-22-21(17-20)11-15-25(22)14-4-13-24-16-12-23-18-24/h1-3,5-12,15-18H,4,13-14H2/b8-7+
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n/an/a 280n/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)
BDBM50023349
PNG
(CHEMBL3329770)
Show SMILES COc1cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc(OC)c1OC
Show InChI InChI=1/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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n/an/a 330n/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


(Homo sapiens (Human))
BDBM151585
PNG
(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/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
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n/an/a 340n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERalpha-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation coun...


Bioorg Med Chem 25: 5629-5636 (2017)

More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
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=1/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-/s2
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n/an/a 360n/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)
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=1/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-/s2
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n/an/a 360n/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 27B1


(Homo sapiens (Human))
BDBM50261588
PNG
(CHEMBL4074768)
Show SMILES Cc1[nH]nc(O)c1C(c1c(O)n[nH]c1C)c1cccc(OCc2ccncc2)c1
Show InChI InChI=1S/C21H21N5O3/c1-12-17(20(27)25-23-12)19(18-13(2)24-26-21(18)28)15-4-3-5-16(10-15)29-11-14-6-8-22-9-7-14/h3-10,19H,11H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 410n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP27B1 expressed in Escherichia coli assessed as reduction in hydrolase activity incubated for 25 mins using Adx, AdR and 1,25(O...


Bioorg Med Chem 25: 5629-5636 (2017)

More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
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=1/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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n/an/a 500n/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 27B1


(Homo sapiens (Human))
BDBM50214607
PNG
(CHEMBL541423 | MK-24 | MK-24(S)-S(O)(NH)Ph)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)C1=CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H39NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-13,17,20,24,27-28,31-32H,2,7-8,14-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,27?,28+,29-,34?/m1/s1
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n/an/a 554n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP27B1


Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
BDBM50370925
PNG
(CHEMBL1627233)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,17,20,24,26-28,31-32H,2,7-8,13-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/s2
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n/an/a 554n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP27B hydroxylase expressed in SW900 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
BDBM50261587
PNG
(CHEMBL4104395)
Show SMILES Cc1[nH]nc(O)c1C(c1c(O)n[nH]c1C)c1ccc(OCc2ccncc2)cc1
Show InChI InChI=1S/C21H21N5O3/c1-12-17(20(27)25-23-12)19(18-13(2)24-26-21(18)28)15-3-5-16(6-4-15)29-11-14-7-9-22-10-8-14/h3-10,19H,11H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
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n/an/a 570n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP27B1 expressed in Escherichia coli assessed as reduction in hydrolase activity incubated for 25 mins using Adx, AdR and 1,25(O...


Bioorg Med Chem 25: 5629-5636 (2017)

More data for this
Ligand-Target Pair
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50023346
PNG
(CHEMBL3329767)
Show SMILES Fc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1
Show InChI InChI=1/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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n/an/a 600n/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 27B1


(Homo sapiens (Human))
BDBM50214606
PNG
(4'-chloro-biphenyl-4-carboxylic acid (2-imidazol-1...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCC(c1ccccc1)n1ccnc1
Show InChI InChI=1/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)
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n/an/a 616n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP27B1 in human keratinocytes


Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair
Cytochrome P450 27B1


(Homo sapiens (Human))
BDBM50322358
PNG
(4'-Chloro-biphenyl-4-carboxylic acid((R)-2-imidazo...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC[C@@H](c1ccccc1)n1ccnc1
Show InChI InChI=1/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/s2
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n/an/a 616n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP27B1


Bioorg Med Chem 25: 5629-5636 (2017)

More data for this
Ligand-Target Pair