Found 15 hits Enz. Inhib. hit(s) with all data for entry = 3578 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)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | 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 | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | |
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 | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell line |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM36488
(CO22)Show SMILES CC(C)c1cc(Oc2c(C)cc(Cc3[nH]c(=O)[nH]c3O)cc2C)ccc1O Show InChI InChI=1S/C21H24N2O4/c1-11(2)16-10-15(5-6-18(16)24)27-19-12(3)7-14(8-13(19)4)9-17-20(25)23-21(26)22-17/h5-8,10-11,24-25H,9H2,1-4H3,(H2,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 286 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM36488
(CO22)Show SMILES CC(C)c1cc(Oc2c(C)cc(Cc3[nH]c(=O)[nH]c3O)cc2C)ccc1O Show InChI InChI=1S/C21H24N2O4/c1-11(2)16-10-15(5-6-18(16)24)27-19-12(3)7-14(8-13(19)4)9-17-20(25)23-21(26)22-17/h5-8,10-11,24-25H,9H2,1-4H3,(H2,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | |
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 | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
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 | n/a | 0.0810 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
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 | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM36488
(CO22)Show SMILES CC(C)c1cc(Oc2c(C)cc(Cc3[nH]c(=O)[nH]c3O)cc2C)ccc1O Show InChI InChI=1S/C21H24N2O4/c1-11(2)16-10-15(5-6-18(16)24)27-19-12(3)7-14(8-13(19)4)9-17-20(25)23-21(26)22-17/h5-8,10-11,24-25H,9H2,1-4H3,(H2,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.87E+3 | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | 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 | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | 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 | n/a | n/a | 390 | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
TRE-driven dual-luciferase reporter assay in human bone osteosarcoma epithelial (U2OS) cell line. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | 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 | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell line |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | 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 | n/a | n/a | 58 | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell line |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | |
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 | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
TRE-driven dual-luciferase reporter assay in human uterine cervical cancer (Hela) cell line |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM36487
(CHEMBL263630 | CO23)Show SMILES CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O Show InChI InChI=1S/C19H18I2N2O4/c1-9(2)12-8-11(3-4-16(12)24)27-17-13(20)5-10(6-14(17)21)7-15-18(25)23-19(26)22-15/h3-6,8-9,24-25H,7H2,1-2H3,(H2,22,23,26) | 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 | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
| Assay Description
Thyroid hormone competitive binding assay using TNT T7 quick-coupled transcription translation system from promega. |
ACS Chem Biol 1: 585-93 (2006)
Article DOI: 10.1021/cb600311v
BindingDB Entry DOI: 10.7270/Q23N21R4 |
More data for this
Ligand-Target Pair | |
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