Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50047176 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 |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Inverse agonist activity at human RORgamma transfected in HEK293 cells after 24 hrs by beta galactosidase luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50152147
(CHEMBL3781062)Show SMILES C[Si](C)(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H18F3NO3SSi/c1-25(2,23)15-10-8-13(9-11-15)20(12-16(17,18)19)24(21,22)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Inverse agonist activity at human RORgamma transfected in HEK293 cells after 24 hrs by beta galactosidase luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50152147
(CHEMBL3781062)Show SMILES C[Si](C)(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H18F3NO3SSi/c1-25(2,23)15-10-8-13(9-11-15)20(12-16(17,18)19)24(21,22)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Inverse agonist activity at human RORalpha transfected in HEK293 cells after 24 hrs by beta galactosidase luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | |
Nuclear receptor ROR-beta
(Homo sapiens (Human)) | BDBM50152147
(CHEMBL3781062)Show SMILES C[Si](C)(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H18F3NO3SSi/c1-25(2,23)15-10-8-13(9-11-15)20(12-16(17,18)19)24(21,22)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3 | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Inverse agonist activity at human RORbeta transfected in HEK293 cells after 24 hrs by beta galactosidase luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50152147
(CHEMBL3781062)Show SMILES C[Si](C)(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H18F3NO3SSi/c1-25(2,23)15-10-8-13(9-11-15)20(12-16(17,18)19)24(21,22)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 880 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human PXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50152147
(CHEMBL3781062)Show SMILES C[Si](C)(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H18F3NO3SSi/c1-25(2,23)15-10-8-13(9-11-15)20(12-16(17,18)19)24(21,22)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Partial agonist activity at human FXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
UniProtKB/SwissProt
antibodypedia 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 | 270 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human PXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human FXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
UniProtKB/SwissProt
antibodypedia 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 | 230 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human LXRbeta transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
UniProtKB/SwissProt
antibodypedia 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 | 400 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human LXRalpha transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50370232
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Agonist activity at human PXR transfected in HEK293 cells after 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 26: 1817-20 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.031 BindingDB Entry DOI: 10.7270/Q2R2138B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |