Found 28 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 |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | 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
| DrugBank PDB Article PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18860
((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 | 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
| DrugBank PDB Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171808
(CHEMBL194242 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)Show SMILES OC(=O)CC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(13.88,-4.76,;13.87,-3.22,;15.2,-2.45,;12.54,-2.46,;12.53,-.92,;13.87,-.14,;11.2,-.15,;9.85,-.92,;9.87,-2.46,;8.52,-3.24,;8.52,-4.78,;7.19,-2.47,;7.19,-.93,;5.86,-.16,;8.52,-.16,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;1.87,-2.48,;.52,-3.25,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,)| Show InChI InChI=1S/C19H12BrCl2NO4/c20-19-12-3-1-2-11(10(12)4-5-15(19)24)18-13(21)6-9(7-14(18)22)23-16(25)8-17(26)27/h1-7,24H,8H2,(H,23,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171802
(CHEMBL196642 | N-[3,5-Dichloro-4-(5-isopropyl-6-me...)Show SMILES COc1ccc2c(cccc2c1C(C)C)-c1c(Cl)cc(NC(=O)CC(O)=O)cc1Cl |(1.71,1.66,;1.71,.12,;3.04,-.65,;4.37,.13,;5.72,-.64,;5.72,-2.19,;7.05,-2.96,;7.05,-4.49,;5.7,-5.27,;4.37,-4.5,;4.37,-2.96,;3.04,-2.19,;1.71,-2.96,;.38,-2.19,;1.71,-4.5,;8.38,-2.18,;9.71,-2.95,;9.71,-4.49,;11.04,-2.18,;11.04,-.64,;12.37,.14,;13.7,-.63,;15.05,.16,;13.72,-2.17,;15.06,-2.92,;15.06,-4.46,;16.39,-2.15,;9.71,.13,;8.38,-.64,;7.05,.13,)| Show InChI InChI=1S/C23H21Cl2NO4/c1-12(2)22-15-5-4-6-16(14(15)7-8-19(22)30-3)23-17(24)9-13(10-18(23)25)26-20(27)11-21(28)29/h4-10,12H,11H2,1-3H3,(H,26,27)(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171801
(CHEMBL198367 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(11.21,-4.35,;12.54,-3.57,;13.87,-4.32,;12.53,-2.03,;13.87,-1.24,;11.2,-1.26,;9.85,-2.04,;8.52,-1.27,;7.19,-2.04,;5.86,-1.27,;7.19,-3.58,;8.52,-4.35,;8.52,-5.89,;9.87,-3.58,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C18H10BrCl2NO4/c19-16-11-3-1-2-10(9(11)4-5-14(16)23)15-12(20)6-8(7-13(15)21)22-17(24)18(25)26/h1-7,23H,(H,22,24)(H,25,26) | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM18869
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171803
(3-[4-(5-Bromo-6-hydroxy-naphthalen-1-yl)-3,5-dichl...)Show SMILES OC(=O)CCNc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(13.88,-5.86,;13.87,-4.32,;15.2,-3.55,;12.54,-3.57,;12.53,-2.03,;11.2,-1.26,;9.85,-2.04,;8.52,-1.27,;7.19,-2.04,;5.86,-1.27,;7.19,-3.58,;8.52,-4.35,;8.52,-5.89,;9.87,-3.58,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C19H14BrCl2NO3/c20-19-13-3-1-2-12(11(13)4-5-16(19)24)18-14(21)8-10(9-15(18)22)23-7-6-17(25)26/h1-5,8-9,23-24H,6-7H2,(H,25,26) | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171805
(CHEMBL193864 | [4-(5-Bromo-6-hydroxy-naphthalen-1-...)Show SMILES OC(=O)CNc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(11.21,-4.35,;12.54,-3.57,;13.87,-4.32,;12.53,-2.03,;11.2,-1.26,;9.85,-2.04,;8.52,-1.27,;7.19,-2.04,;5.86,-1.27,;7.19,-3.58,;8.52,-4.35,;8.52,-5.89,;9.87,-3.58,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C18H12BrCl2NO3/c19-18-12-3-1-2-11(10(12)4-5-15(18)23)17-13(20)6-9(7-14(17)21)22-8-16(24)25/h1-7,22-23H,8H2,(H,24,25) | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171808
(CHEMBL194242 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)Show SMILES OC(=O)CC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(13.88,-4.76,;13.87,-3.22,;15.2,-2.45,;12.54,-2.46,;12.53,-.92,;13.87,-.14,;11.2,-.15,;9.85,-.92,;9.87,-2.46,;8.52,-3.24,;8.52,-4.78,;7.19,-2.47,;7.19,-.93,;5.86,-.16,;8.52,-.16,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;1.87,-2.48,;.52,-3.25,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,)| Show InChI InChI=1S/C19H12BrCl2NO4/c20-19-12-3-1-2-11(10(12)4-5-15(19)24)18-13(21)6-9(7-14(18)22)23-16(25)8-17(26)27/h1-7,24H,8H2,(H,23,25)(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171801
(CHEMBL198367 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)Show SMILES OC(=O)C(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(11.21,-4.35,;12.54,-3.57,;13.87,-4.32,;12.53,-2.03,;13.87,-1.24,;11.2,-1.26,;9.85,-2.04,;8.52,-1.27,;7.19,-2.04,;5.86,-1.27,;7.19,-3.58,;8.52,-4.35,;8.52,-5.89,;9.87,-3.58,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C18H10BrCl2NO4/c19-16-11-3-1-2-10(9(11)4-5-14(16)23)15-12(20)6-8(7-13(15)21)22-17(24)18(25)26/h1-7,23H,(H,22,24)(H,25,26) | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171799
(CHEMBL193615 | [3,5-Dichloro-4-(6-hydroxy-5-methyl...)Show SMILES Cc1c(O)ccc2c(cccc12)-c1c(Cl)cc(NC(O)=O)cc1Cl |(.52,-3.25,;1.87,-2.48,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;7.19,-2.47,;7.19,-.93,;5.86,-.16,;8.52,-.16,;9.85,-.92,;11.2,-.15,;12.53,-.92,;12.54,-2.46,;13.87,-.14,;9.87,-2.46,;8.52,-3.24,;8.52,-4.78,)| Show InChI InChI=1S/C18H13Cl2NO3/c1-9-11-3-2-4-13(12(11)5-6-16(9)22)17-14(19)7-10(8-15(17)20)21-18(23)24/h2-8,21-22H,1H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171800
(CHEMBL371245 | [4-(3-Bromo-4-hydroxy-phenoxy)-3,5-...)Show InChI InChI=1S/C14H9BrCl2O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171797
(CHEMBL195079 | [4-(5-Bromo-6-hydroxy-naphthalen-1-...)Show SMILES OC(=O)Cc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(13.87,-1.24,;12.53,-2.03,;12.54,-3.57,;11.2,-1.26,;9.85,-2.04,;9.87,-3.58,;8.52,-4.35,;8.52,-5.89,;7.19,-3.58,;7.19,-2.04,;5.86,-1.27,;8.52,-1.27,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C18H11BrCl2O3/c19-18-12-3-1-2-11(10(12)4-5-15(18)22)17-13(20)6-9(7-14(17)21)8-16(23)24/h1-7,22H,8H2,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171803
(3-[4-(5-Bromo-6-hydroxy-naphthalen-1-yl)-3,5-dichl...)Show SMILES OC(=O)CCNc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(13.88,-5.86,;13.87,-4.32,;15.2,-3.55,;12.54,-3.57,;12.53,-2.03,;11.2,-1.26,;9.85,-2.04,;8.52,-1.27,;7.19,-2.04,;5.86,-1.27,;7.19,-3.58,;8.52,-4.35,;8.52,-5.89,;9.87,-3.58,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C19H14BrCl2NO3/c20-19-13-3-1-2-12(11(13)4-5-16(19)24)18-14(21)8-10(9-15(18)22)23-7-6-17(25)26/h1-5,8-9,23-24H,6-7H2,(H,25,26) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171802
(CHEMBL196642 | N-[3,5-Dichloro-4-(5-isopropyl-6-me...)Show SMILES COc1ccc2c(cccc2c1C(C)C)-c1c(Cl)cc(NC(=O)CC(O)=O)cc1Cl |(1.71,1.66,;1.71,.12,;3.04,-.65,;4.37,.13,;5.72,-.64,;5.72,-2.19,;7.05,-2.96,;7.05,-4.49,;5.7,-5.27,;4.37,-4.5,;4.37,-2.96,;3.04,-2.19,;1.71,-2.96,;.38,-2.19,;1.71,-4.5,;8.38,-2.18,;9.71,-2.95,;9.71,-4.49,;11.04,-2.18,;11.04,-.64,;12.37,.14,;13.7,-.63,;15.05,.16,;13.72,-2.17,;15.06,-2.92,;15.06,-4.46,;16.39,-2.15,;9.71,.13,;8.38,-.64,;7.05,.13,)| Show InChI InChI=1S/C23H21Cl2NO4/c1-12(2)22-15-5-4-6-16(14(15)7-8-19(22)30-3)23-17(24)9-13(10-18(23)25)26-20(27)11-21(28)29/h4-10,12H,11H2,1-3H3,(H,26,27)(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171805
(CHEMBL193864 | [4-(5-Bromo-6-hydroxy-naphthalen-1-...)Show SMILES OC(=O)CNc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(11.21,-4.35,;12.54,-3.57,;13.87,-4.32,;12.53,-2.03,;11.2,-1.26,;9.85,-2.04,;8.52,-1.27,;7.19,-2.04,;5.86,-1.27,;7.19,-3.58,;8.52,-4.35,;8.52,-5.89,;9.87,-3.58,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C18H12BrCl2NO3/c19-18-12-3-1-2-11(10(12)4-5-15(18)23)17-13(20)6-9(7-14(17)21)22-8-16(24)25/h1-7,22-23H,8H2,(H,24,25) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171798
(CHEMBL372428 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)Show SMILES OC(=O)CCC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(16.55,-3.2,;15.2,-2.43,;15.2,-.89,;13.87,-3.22,;12.54,-2.46,;12.53,-.92,;13.87,-.14,;11.2,-.15,;9.85,-.92,;8.52,-.16,;7.19,-.93,;5.86,-.16,;7.19,-2.47,;8.52,-3.24,;8.52,-4.78,;9.87,-2.46,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;1.87,-2.48,;.52,-3.25,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,)| Show InChI InChI=1S/C20H14BrCl2NO4/c21-20-13-3-1-2-12(11(13)4-5-16(20)25)19-14(22)8-10(9-15(19)23)24-17(26)6-7-18(27)28/h1-5,8-9,25H,6-7H2,(H,24,26)(H,27,28) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM18869
(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171806
(CHEMBL196613 | [3,5-Dichloro-4-(6-hydroxy-5-phenyl...)Show SMILES OC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(c(O)ccc12)-c1ccccc1 |(12.54,-2.46,;12.53,-.92,;13.87,-.14,;11.2,-.15,;9.85,-.92,;9.87,-2.46,;8.52,-3.24,;8.52,-4.78,;7.19,-2.47,;7.19,-.93,;5.86,-.16,;8.52,-.16,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;1.87,-2.48,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,;.52,-3.25,;.54,-4.78,;-.79,-5.56,;-2.14,-4.79,;-2.14,-3.25,;-.79,-2.48,)| Show InChI InChI=1S/C23H15Cl2NO3/c24-18-11-14(26-23(28)29)12-19(25)22(18)17-8-4-7-16-15(17)9-10-20(27)21(16)13-5-2-1-3-6-13/h1-12,26-27H,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171799
(CHEMBL193615 | [3,5-Dichloro-4-(6-hydroxy-5-methyl...)Show SMILES Cc1c(O)ccc2c(cccc12)-c1c(Cl)cc(NC(O)=O)cc1Cl |(.52,-3.25,;1.87,-2.48,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;7.19,-2.47,;7.19,-.93,;5.86,-.16,;8.52,-.16,;9.85,-.92,;11.2,-.15,;12.53,-.92,;12.54,-2.46,;13.87,-.14,;9.87,-2.46,;8.52,-3.24,;8.52,-4.78,)| Show InChI InChI=1S/C18H13Cl2NO3/c1-9-11-3-2-4-13(12(11)5-6-16(9)22)17-14(19)7-10(8-15(17)20)21-18(23)24/h2-8,21-22H,1H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171798
(CHEMBL372428 | N-[4-(5-Bromo-6-hydroxy-naphthalen-...)Show SMILES OC(=O)CCC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(16.55,-3.2,;15.2,-2.43,;15.2,-.89,;13.87,-3.22,;12.54,-2.46,;12.53,-.92,;13.87,-.14,;11.2,-.15,;9.85,-.92,;8.52,-.16,;7.19,-.93,;5.86,-.16,;7.19,-2.47,;8.52,-3.24,;8.52,-4.78,;9.87,-2.46,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;1.87,-2.48,;.52,-3.25,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,)| Show InChI InChI=1S/C20H14BrCl2NO4/c21-20-13-3-1-2-12(11(13)4-5-16(20)25)19-14(22)8-10(9-15(19)23)24-17(26)6-7-18(27)28/h1-5,8-9,25H,6-7H2,(H,24,26)(H,27,28) | 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 | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171797
(CHEMBL195079 | [4-(5-Bromo-6-hydroxy-naphthalen-1-...)Show SMILES OC(=O)Cc1cc(Cl)c(c(Cl)c1)-c1cccc2c(Br)c(O)ccc12 |(13.87,-1.24,;12.53,-2.03,;12.54,-3.57,;11.2,-1.26,;9.85,-2.04,;9.87,-3.58,;8.52,-4.35,;8.52,-5.89,;7.19,-3.58,;7.19,-2.04,;5.86,-1.27,;8.52,-1.27,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;.52,-4.36,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C18H11BrCl2O3/c19-18-12-3-1-2-11(10(12)4-5-15(18)22)17-13(20)6-9(7-14(17)21)8-16(23)24/h1-7,22H,8H2,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171800
(CHEMBL371245 | [4-(3-Bromo-4-hydroxy-phenoxy)-3,5-...)Show InChI InChI=1S/C14H9BrCl2O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171806
(CHEMBL196613 | [3,5-Dichloro-4-(6-hydroxy-5-phenyl...)Show SMILES OC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cccc2c(c(O)ccc12)-c1ccccc1 |(12.54,-2.46,;12.53,-.92,;13.87,-.14,;11.2,-.15,;9.85,-.92,;9.87,-2.46,;8.52,-3.24,;8.52,-4.78,;7.19,-2.47,;7.19,-.93,;5.86,-.16,;8.52,-.16,;5.86,-3.25,;5.86,-4.78,;4.53,-5.56,;3.2,-4.79,;3.2,-3.25,;1.87,-2.48,;1.87,-.93,;.54,-.17,;3.2,-.16,;4.53,-.93,;4.53,-2.48,;.52,-3.25,;.54,-4.78,;-.79,-5.56,;-2.14,-4.79,;-2.14,-3.25,;-.79,-2.48,)| Show InChI InChI=1S/C23H15Cl2NO3/c24-18-11-14(26-23(28)29)12-19(25)22(18)17-8-4-7-16-15(17)9-10-20(27)21(16)13-5-2-1-3-6-13/h1-12,26-27H,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171804
(CHEMBL195327 | [3,5-Dichloro-4-(6-hydroxy-naphthal...)Show SMILES OC(=O)Cc1cc(Cl)c(c(Cl)c1)-c1cccc2cc(O)ccc12 |(13.87,-1.24,;12.53,-2.03,;12.54,-3.57,;11.2,-1.26,;9.85,-2.04,;9.87,-3.58,;8.52,-4.35,;8.52,-5.89,;7.19,-3.58,;7.19,-2.04,;5.86,-1.27,;8.52,-1.27,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C18H12Cl2O3/c19-15-6-10(8-17(22)23)7-16(20)18(15)14-3-1-2-11-9-12(21)4-5-13(11)14/h1-7,9,21H,8H2,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 545 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171804
(CHEMBL195327 | [3,5-Dichloro-4-(6-hydroxy-naphthal...)Show SMILES OC(=O)Cc1cc(Cl)c(c(Cl)c1)-c1cccc2cc(O)ccc12 |(13.87,-1.24,;12.53,-2.03,;12.54,-3.57,;11.2,-1.26,;9.85,-2.04,;9.87,-3.58,;8.52,-4.35,;8.52,-5.89,;7.19,-3.58,;7.19,-2.04,;5.86,-1.27,;8.52,-1.27,;5.86,-4.36,;5.86,-5.89,;4.53,-6.67,;3.2,-5.9,;3.2,-4.36,;1.87,-3.59,;1.87,-2.05,;.54,-1.28,;3.2,-1.27,;4.53,-2.04,;4.53,-3.59,)| Show InChI InChI=1S/C18H12Cl2O3/c19-15-6-10(8-17(22)23)7-16(20)18(15)14-3-1-2-11-9-12(21)4-5-13(11)14/h1-7,9,21H,8H2,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50171807
(CHEMBL193851 | [3,5-Dichloro-4-(4-hydroxy-phenoxy)...)Show InChI InChI=1S/C14H10Cl2O4/c15-11-5-8(7-13(18)19)6-12(16)14(11)20-10-3-1-9(17)2-4-10/h1-6,17H,7H2,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor beta 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50171807
(CHEMBL193851 | [3,5-Dichloro-4-(4-hydroxy-phenoxy)...)Show InChI InChI=1S/C14H10Cl2O4/c15-11-5-8(7-13(18)19)6-12(16)14(11)20-10-3-1-9(17)2-4-10/h1-6,17H,7H2,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against cloned human thyroid hormone receptor alpha 1 |
Bioorg Med Chem Lett 15: 4579-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.093 BindingDB Entry DOI: 10.7270/Q2GB23MG |
More data for this Ligand-Target Pair | |