Found 69 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322794
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1 Show InChI InChI=1S/C21H19NO2/c1-14(2)21(17-9-11-22-12-10-17)16-5-3-15(4-6-16)18-7-8-19(23)20(24)13-18/h3-13,23-24H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322784
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1 Show InChI InChI=1S/C21H20N2/c1-15(2)21(18-10-12-23-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(22)14-19/h3-14H,22H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322793
(4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol | CHEMBL1...)Show InChI InChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322790
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C21H19NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-14,23H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322787
(6-(4-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)phenyl)...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc2cc(-[#8])ccc2c1 Show InChI InChI=1S/C25H21NO/c1-17(2)25(20-11-13-26-14-12-20)19-5-3-18(4-6-19)21-7-8-23-16-24(27)10-9-22(23)15-21/h3-16,27H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM25458
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322792
(3-fluoro-4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1 Show InChI InChI=1S/C21H18FNO/c1-14(2)21(17-9-11-23-12-10-17)16-5-3-15(4-6-16)18-7-8-20(24)19(22)13-18/h3-13,24H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322786
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1 Show InChI InChI=1S/C21H21N3/c1-14(2)21(17-9-11-24-12-10-17)16-5-3-15(4-6-16)18-7-8-19(22)20(23)13-18/h3-13H,22-23H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322789
(4'-(pyridin-4-ylmethyl)biphenyl-3-ol | 4-[(3'-Hydr...)Show InChI InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322791
(3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | CH...)Show InChI InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322791
(3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | CH...)Show InChI InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322795
(4'-(1-(pyridin-4-yl)propyl)biphenyl-3-ol | CHEMBL1...)Show InChI InChI=1S/C20H19NO/c1-2-20(17-10-12-21-13-11-17)16-8-6-15(7-9-16)18-4-3-5-19(22)14-18/h3-14,20,22H,2H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 189 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322783
(4'-(pyridin-4-ylmethyl)biphenyl-3-amine | CHEMBL11...)Show InChI InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 226 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322789
(4'-(pyridin-4-ylmethyl)biphenyl-3-ol | 4-[(3'-Hydr...)Show InChI InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 261 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322783
(4'-(pyridin-4-ylmethyl)biphenyl-3-amine | CHEMBL11...)Show InChI InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 287 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322785
(4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diamine | CHEM...)Show InChI InChI=1S/C18H17N3/c19-17-6-5-16(12-18(17)20)15-3-1-13(2-4-15)11-14-7-9-21-10-8-14/h1-10,12H,11,19-20H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 337 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322789
(4'-(pyridin-4-ylmethyl)biphenyl-3-ol | 4-[(3'-Hydr...)Show InChI InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 342 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322797
(3-fluoro-4'-(1-(pyridin-4-yl)propyl)biphenyl-4-ol ...)Show InChI InChI=1S/C20H18FNO/c1-2-18(16-9-11-22-12-10-16)15-5-3-14(4-6-15)17-7-8-20(23)19(21)13-17/h3-13,18,23H,2H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 343 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322791
(3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | CH...)Show InChI InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 351 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322785
(4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diamine | CHEM...)Show InChI InChI=1S/C18H17N3/c19-17-6-5-16(12-18(17)20)15-3-1-13(2-4-15)11-14-7-9-21-10-8-14/h1-10,12H,11,19-20H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 368 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322794
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1 Show InChI InChI=1S/C21H19NO2/c1-14(2)21(17-9-11-22-12-10-17)16-5-3-15(4-6-16)18-7-8-19(23)20(24)13-18/h3-13,23-24H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322799
(CHEMBL1173727 | tert-butyl 4'-(2-methyl-1-(pyridin...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])cc1 Show InChI InChI=1S/C26H28N2O2/c1-18(2)24(22-14-16-27-17-15-22)21-8-6-19(7-9-21)20-10-12-23(13-11-20)28-25(29)30-26(3,4)5/h6-17H,1-5H3,(H,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 493 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322785
(4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diamine | CHEM...)Show InChI InChI=1S/C18H17N3/c19-17-6-5-16(12-18(17)20)15-3-1-13(2-4-15)11-14-7-9-21-10-8-14/h1-10,12H,11,19-20H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 502 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322789
(4'-(pyridin-4-ylmethyl)biphenyl-3-ol | 4-[(3'-Hydr...)Show InChI InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 538 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322789
(4'-(pyridin-4-ylmethyl)biphenyl-3-ol | 4-[(3'-Hydr...)Show InChI InChI=1S/C18H15NO/c20-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-19-11-9-15/h1-11,13,20H,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 663 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322790
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C21H19NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-14,23H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322796
(4'-(2-methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol ...)Show InChI InChI=1S/C21H21NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-15,21,23H,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 783 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322800
(CHEMBL1173795 | tert-butyl 3-fluoro-4'-(2-methyl-1...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])c(F)c1 Show InChI InChI=1S/C26H27FN2O2/c1-17(2)24(20-12-14-28-15-13-20)19-8-6-18(7-9-19)21-10-11-23(22(27)16-21)29-25(30)31-26(3,4)5/h6-16H,1-5H3,(H,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 852 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322791
(3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | CH...)Show InChI InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 896 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322783
(4'-(pyridin-4-ylmethyl)biphenyl-3-amine | CHEMBL11...)Show InChI InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 921 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322793
(4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol | CHEMBL1...)Show InChI InChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 948 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322794
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1 Show InChI InChI=1S/C21H19NO2/c1-14(2)21(17-9-11-22-12-10-17)16-5-3-15(4-6-16)18-7-8-19(23)20(24)13-18/h3-13,23-24H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 974 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322786
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1 Show InChI InChI=1S/C21H21N3/c1-14(2)21(17-9-11-24-12-10-17)16-5-3-15(4-6-16)18-7-8-19(22)20(23)13-18/h3-13H,22-23H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322784
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1 Show InChI InChI=1S/C21H20N2/c1-15(2)21(18-10-12-23-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(22)14-19/h3-14H,22H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322793
(4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol | CHEMBL1...)Show InChI InChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322798
(CHEMBL1173726 | tert-butyl 4'-(2-methyl-1-(pyridin...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])c1 Show InChI InChI=1S/C26H28N2O2/c1-18(2)24(21-13-15-27-16-14-21)20-11-9-19(10-12-20)22-7-6-8-23(17-22)28-25(29)30-26(3,4)5/h6-17H,1-5H3,(H,28,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322783
(4'-(pyridin-4-ylmethyl)biphenyl-3-amine | CHEMBL11...)Show InChI InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM25458
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322791
(3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | CH...)Show InChI InChI=1S/C18H14FNO/c19-17-12-16(5-6-18(17)21)15-3-1-13(2-4-15)11-14-7-9-20-10-8-14/h1-10,12,21H,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM25458
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322786
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1 Show InChI InChI=1S/C21H21N3/c1-14(2)21(17-9-11-24-12-10-17)16-5-3-15(4-6-16)18-7-8-19(22)20(23)13-18/h3-13H,22-23H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322792
(3-fluoro-4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1 Show InChI InChI=1S/C21H18FNO/c1-14(2)21(17-9-11-23-12-10-17)16-5-3-15(4-6-16)18-7-8-20(24)19(22)13-18/h3-13,24H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322792
(3-fluoro-4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1 Show InChI InChI=1S/C21H18FNO/c1-14(2)21(17-9-11-23-12-10-17)16-5-3-15(4-6-16)18-7-8-20(24)19(22)13-18/h3-13,24H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322793
(4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol | CHEMBL1...)Show InChI InChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM25458
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322783
(4'-(pyridin-4-ylmethyl)biphenyl-3-amine | CHEMBL11...)Show InChI InChI=1S/C18H16N2/c19-18-3-1-2-17(13-18)16-6-4-14(5-7-16)12-15-8-10-20-11-9-15/h1-11,13H,12,19H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322790
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C21H19NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-14,23H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322790
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C21H19NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-14,23H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322784
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1 Show InChI InChI=1S/C21H20N2/c1-15(2)21(18-10-12-23-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(22)14-19/h3-14H,22H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322784
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1 Show InChI InChI=1S/C21H20N2/c1-15(2)21(18-10-12-23-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(22)14-19/h3-14H,22H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322787
(6-(4-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)phenyl)...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc2cc(-[#8])ccc2c1 Show InChI InChI=1S/C25H21NO/c1-17(2)25(20-11-13-26-14-12-20)19-5-3-18(4-6-19)21-7-8-23-16-24(27)10-9-22(23)15-21/h3-16,27H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322792
(3-fluoro-4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1 Show InChI InChI=1S/C21H18FNO/c1-14(2)21(17-9-11-23-12-10-17)16-5-3-15(4-6-16)18-7-8-20(24)19(22)13-18/h3-13,24H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322786
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1 Show InChI InChI=1S/C21H21N3/c1-14(2)21(17-9-11-24-12-10-17)16-5-3-15(4-6-16)18-7-8-19(22)20(23)13-18/h3-13H,22-23H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322784
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1 Show InChI InChI=1S/C21H20N2/c1-15(2)21(18-10-12-23-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(22)14-19/h3-14H,22H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322793
(4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol | CHEMBL1...)Show InChI InChI=1S/C18H15NO2/c20-17-6-5-16(12-18(17)21)15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,20-21H,11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322794
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1 Show InChI InChI=1S/C21H19NO2/c1-14(2)21(17-9-11-22-12-10-17)16-5-3-15(4-6-16)18-7-8-19(23)20(24)13-18/h3-13,23-24H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50322801
(CHEMBL1173796 | tert-butyl 4'-(2-methyl-1-(pyridin...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])c(-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])c1 Show InChI InChI=1S/C31H37N3O4/c1-20(2)27(23-15-17-32-18-16-23)22-11-9-21(10-12-22)24-13-14-25(33-28(35)37-30(3,4)5)26(19-24)34-29(36)38-31(6,7)8/h9-19H,1-8H3,(H,33,35)(H,34,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH-P450 reductase |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322790
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1 Show InChI InChI=1S/C21H19NO/c1-15(2)21(18-10-12-22-13-11-18)17-8-6-16(7-9-17)19-4-3-5-20(23)14-19/h3-14,23H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322792
(3-fluoro-4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1 Show InChI InChI=1S/C21H18FNO/c1-14(2)21(17-9-11-23-12-10-17)16-5-3-15(4-6-16)18-7-8-20(24)19(22)13-18/h3-13,24H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 expressed in baculovirus infected insect microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322785
(4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diamine | CHEM...)Show InChI InChI=1S/C18H17N3/c19-17-6-5-16(12-18(17)20)15-3-1-13(2-4-15)11-14-7-9-21-10-8-14/h1-10,12H,11,19-20H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50322794
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1 Show InChI InChI=1S/C21H19NO2/c1-14(2)21(17-9-11-22-12-10-17)16-5-3-15(4-6-16)18-7-8-19(23)20(24)13-18/h3-13,23-24H,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322787
(6-(4-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)phenyl)...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc2cc(-[#8])ccc2c1 Show InChI InChI=1S/C25H21NO/c1-17(2)25(20-11-13-26-14-12-20)19-5-3-18(4-6-19)21-7-8-23-16-24(27)10-9-22(23)15-21/h3-16,27H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50322787
(6-(4-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)phenyl)...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc2cc(-[#8])ccc2c1 Show InChI InChI=1S/C25H21NO/c1-17(2)25(20-11-13-26-14-12-20)19-5-3-18(4-6-19)21-7-8-23-16-24(27)10-9-22(23)15-21/h3-16,27H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50322786
(4'-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-...)Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1 Show InChI InChI=1S/C21H21N3/c1-14(2)21(17-9-11-24-12-10-17)16-5-3-15(4-6-16)18-7-8-19(22)20(23)13-18/h3-13H,22-23H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM25458
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23| Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| 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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description Inhibition of CYP19 in human placental microsomes |
J Med Chem 53: 5049-53 (2010)
Article DOI: 10.1021/jm100400a BindingDB Entry DOI: 10.7270/Q2W37X9K |
More data for this Ligand-Target Pair | |