Found 28 hits with Last Name = 'barycki' and Initial = 'r' 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 |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50304585
((20S)-1alpha,25-Dihydroxy-2-methylene-18,19-dinorv...)Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6@H]-1-[#6]-[#6]-[#6@@H]2-[#6@@H]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C26H42O3/c1-17(7-6-14-26(3,4)29)21-12-13-22-20(8-5-9-23(21)22)11-10-19-15-24(27)18(2)25(28)16-19/h10-11,17,21-25,27-29H,2,5-9,12-16H2,1,3-4H3/b20-11+/t17-,21+,22-,23+,24+,25+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Displacement of radiolabeled 1alpha,25-(OH)2D3 from rat recombinant full length VDR |
Bioorg Med Chem 17: 7658-69 (2009)
Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDR |
Bioorg Med Chem 16: 8563-73 (2008)
Article DOI: 10.1016/j.bmc.2008.08.011 BindingDB Entry DOI: 10.7270/Q20001X4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50304583
(1alpha,25-Dihydroxy-2-methylene-18,19,21-trinorvit...)Show SMILES [#6]C([#6])([#8])[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6]-[#6@@H]2-[#6@@H]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C25H40O3/c1-17-23(26)15-18(16-24(17)27)10-11-20-8-6-9-21-19(12-13-22(20)21)7-4-5-14-25(2,3)28/h10-11,19,21-24,26-28H,1,4-9,12-16H2,2-3H3/b20-11+/t19-,21+,22-,23+,24+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Displacement of radiolabeled 1alpha,25-(OH)2D3 from rat recombinant full length VDR |
Bioorg Med Chem 17: 7658-69 (2009)
Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Displacement of radiolabeled 1alpha,25-(OH)2D3 from rat recombinant full length VDR |
Bioorg Med Chem 17: 7658-69 (2009)
Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50304584
(1alpha,25-Dihydroxy-2-methylene-19,21-dinorvitamin...)Show SMILES [#6]C([#6])([#8])[#6]-[#6]-[#6]-[#6]-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C26H42O3/c1-18-23(27)16-19(17-24(18)28)10-11-20-8-7-15-26(4)21(12-13-22(20)26)9-5-6-14-25(2,3)29/h10-11,21-24,27-29H,1,5-9,12-17H2,2-4H3/b20-11+/t21-,22-,23+,24+,26+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Displacement of radiolabeled 1alpha,25-(OH)2D3 from rat recombinant full length VDR |
Bioorg Med Chem 17: 7658-69 (2009)
Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50292629
((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)Show SMILES [#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22-,23+,24-,25-,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDR |
Bioorg Med Chem 16: 8563-73 (2008)
Article DOI: 10.1016/j.bmc.2008.08.011 BindingDB Entry DOI: 10.7270/Q20001X4 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50292630
((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)Show SMILES [#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22-,23+,24-,25-,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Displacement of [3H]1alpha,25-(OH)2D3 from rat recombinant full length VDR |
Bioorg Med Chem 16: 8563-73 (2008)
Article DOI: 10.1016/j.bmc.2008.08.011 BindingDB Entry DOI: 10.7270/Q20001X4 |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92780
(VIMI)Show SMILES C[C@@H](Cn1ccnc1)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C(=C)[C@H](O)C1 |r| 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/b19-6-,20-7+/t17-,21?,22?,23-,24+,25+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92778
(AB47)Show SMILES C[C@@H](COC(=O)CBr)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C |r| Show InChI InChI=1S/C24H35BrO3/c1-16-6-9-20(26)13-19(16)8-7-18-5-4-12-24(3)21(10-11-22(18)24)17(2)15-28-23(27)14-25/h7-8,17,20-22,26H,1,4-6,9-15H2,2-3H3/b18-7+,19-8-/t17-,20+,21?,22?,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |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-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |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-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92779
(TS17)Show SMILES C[C@@H](CCCOS(=O)(=O)c1ccc(C)cc1)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C |r| Show InChI InChI=1S/C31H44O4S/c1-22-9-15-28(16-10-22)36(33,34)35-20-6-7-24(3)29-17-18-30-25(8-5-19-31(29,30)4)12-13-26-21-27(32)14-11-23(26)2/h9-10,12-13,15-16,24,27,29-30,32H,2,5-8,11,14,17-21H2,1,3-4H3/b25-12+,26-13-/t24-,27+,29?,30?,31+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92781
(CPA1)Show SMILES C[C@@H](CCCNC1CC1)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C(=C)[C@H](O)C1 |r| Show InChI InChI=1S/C27H43NO2/c1-18(6-5-15-28-22-10-11-22)23-12-13-24-21(7-4-14-27(23,24)3)9-8-20-16-25(29)19(2)26(30)17-20/h8-9,18,22-26,28-30H,2,4-7,10-17H2,1,3H3/b20-8-,21-9+/t18-,23?,24?,25-,26+,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |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-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92778
(AB47)Show SMILES C[C@@H](COC(=O)CBr)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C |r| Show InChI InChI=1S/C24H35BrO3/c1-16-6-9-20(26)13-19(16)8-7-18-5-4-12-24(3)21(10-11-22(18)24)17(2)15-28-23(27)14-25/h7-8,17,20-22,26H,1,4-6,9-15H2,2-3H3/b18-7+,19-8-/t17-,20+,21?,22?,24+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92776
(24COOH-25(OH)D3)Show SMILES C[C@@H](CCC(O)=O)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C |r| Show InChI InChI=1S/C24H36O3/c1-16-6-10-20(25)15-19(16)9-8-18-5-4-14-24(3)21(11-12-22(18)24)17(2)7-13-23(26)27/h8-9,17,20-22,25H,1,4-7,10-15H2,2-3H3,(H,26,27)/b18-8+,19-9-/t17-,20+,21?,22?,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92780
(VIMI)Show SMILES C[C@@H](Cn1ccnc1)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C(=C)[C@H](O)C1 |r| 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/b19-6-,20-7+/t17-,21?,22?,23-,24+,25+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |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-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92779
(TS17)Show SMILES C[C@@H](CCCOS(=O)(=O)c1ccc(C)cc1)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C |r| Show InChI InChI=1S/C31H44O4S/c1-22-9-15-28(16-10-22)36(33,34)35-20-6-7-24(3)29-17-18-30-25(8-5-19-31(29,30)4)12-13-26-21-27(32)14-11-23(26)2/h9-10,12-13,15-16,24,27,29-30,32H,2,5-8,11,14,17-21H2,1,3-4H3/b25-12+,26-13-/t24-,27+,29?,30?,31+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92776
(24COOH-25(OH)D3)Show SMILES C[C@@H](CCC(O)=O)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)CCC1=C |r| Show InChI InChI=1S/C24H36O3/c1-16-6-10-20(25)15-19(16)9-8-18-5-4-14-24(3)21(11-12-22(18)24)17(2)7-13-23(26)27/h8-9,17,20-22,25H,1,4-7,10-15H2,2-3H3,(H,26,27)/b18-8+,19-9-/t17-,20+,21?,22?,24+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM92781
(CPA1)Show SMILES C[C@@H](CCCNC1CC1)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C(=C)[C@H](O)C1 |r| Show InChI InChI=1S/C27H43NO2/c1-18(6-5-15-28-22-10-11-22)23-12-13-24-21(7-4-14-27(23,24)3)9-8-20-16-25(29)19(2)26(30)17-20/h8-9,18,22-26,28-30H,2,4-7,10-17H2,1,3H3/b20-8-,21-9+/t18-,23?,24?,25-,26+,27+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 3.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin
| Assay Description Inhibition assay using CYP24A1 and CYP27B1. |
Biochemistry 49: 10403-11 (2010)
Article DOI: 10.1021/bi101488p BindingDB Entry DOI: 10.7270/Q2CC0Z80 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50304583
(1alpha,25-Dihydroxy-2-methylene-18,19,21-trinorvit...)Show SMILES [#6]C([#6])([#8])[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6]-[#6@@H]2-[#6@@H]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C25H40O3/c1-17-23(26)15-18(16-24(17)27)10-11-20-8-6-9-21-19(12-13-22(20)21)7-4-5-14-25(2,3)28/h10-11,19,21-24,26-28H,1,4-9,12-16H2,2-3H3/b20-11+/t19-,21+,22-,23+,24+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay |
Bioorg Med Chem 17: 7658-69 (2009)
Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay |
Bioorg Med Chem 17: 7658-69 (2009)
Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50200182
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r| Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at rat recombinant full length VDR expressed in rat ROS 17/2.8 cells transfected with 24-hydroxylase gene promoter assessed as transcription... |
Bioorg Med Chem 16: 8563-73 (2008)
Article DOI: 10.1016/j.bmc.2008.08.011 BindingDB Entry DOI: 10.7270/Q20001X4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50292630
((23R)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)Show SMILES [#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21-,22-,23+,24-,25-,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at rat recombinant full length VDR expressed in rat ROS 17/2.8 cells transfected with 24-hydroxylase gene promoter assessed as transcription... |
Bioorg Med Chem 16: 8563-73 (2008)
Article DOI: 10.1016/j.bmc.2008.08.011 BindingDB Entry DOI: 10.7270/Q20001X4 |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50304584
(1alpha,25-Dihydroxy-2-methylene-19,21-dinorvitamin...)Show SMILES [#6]C([#6])([#8])[#6]-[#6]-[#6]-[#6]-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C26H42O3/c1-18-23(27)16-19(17-24(18)28)10-11-20-8-7-15-26(4)21(12-13-22(20)26)9-5-6-14-25(2,3)29/h10-11,21-24,27-29H,1,5-9,12-17H2,2-4H3/b20-11+/t21-,22-,23+,24+,26+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay |
Bioorg Med Chem 17: 7658-69 (2009)
Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50304585
((20S)-1alpha,25-Dihydroxy-2-methylene-18,19-dinorv...)Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6@H]-1-[#6]-[#6]-[#6@@H]2-[#6@@H]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C26H42O3/c1-17(7-6-14-26(3,4)29)21-12-13-22-20(8-5-9-23(21)22)11-10-19-15-24(27)18(2)25(28)16-19/h10-11,17,21-25,27-29H,2,5-9,12-16H2,1,3-4H3/b20-11+/t17-,21+,22-,23+,24+,25+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at VDR in rat osteosarcoma cells assessed as induction of 24-hydroxylase reporter gene transcription by luciferase reporter gene assay |
Bioorg Med Chem 17: 7658-69 (2009)
Article DOI: 10.1016/j.bmc.2009.09.047 BindingDB Entry DOI: 10.7270/Q26T0MQM |
More data for this Ligand-Target Pair | |
Vitamin D3 receptor
(Rattus norvegicus) | BDBM50292629
((23S)-25-dehydro-2-methylene-19-nor-1alpha-hydroxy...)Show SMILES [#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r| Show InChI InChI=1S/C27H38O4/c1-16(12-21-13-17(2)26(30)31-21)22-9-10-23-20(6-5-11-27(22,23)4)8-7-19-14-24(28)18(3)25(29)15-19/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b20-8+/t16-,21+,22-,23+,24-,25-,27-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison
Curated by ChEMBL
| Assay Description Activity at rat recombinant full length VDR expressed in rat ROS 17/2.8 cells transfected with 24-hydroxylase gene promoter assessed as transcription... |
Bioorg Med Chem 16: 8563-73 (2008)
Article DOI: 10.1016/j.bmc.2008.08.011 BindingDB Entry DOI: 10.7270/Q20001X4 |
More data for this Ligand-Target Pair | |