Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50030982 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 beta
(Homo sapiens (Human)) | BDBM50304781
(2-(4-(3-(4-fluorobenzyl)-4-hydroxyphenoxy)-3,5-dim...)Show SMILES Cc1cc(cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1)-n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C24H20FN3O4/c1-14-9-19(28-24(31)27-22(30)13-26-28)10-15(2)23(14)32-20-7-8-21(29)17(12-20)11-16-3-5-18(25)6-4-16/h3-10,12-13,29H,11H2,1-2H3,(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor beta |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50304778
(3-(3-chloro-4-(3-(cyclobutylmethylsulfonyl)-4-hydr...)Show SMILES Cc1cc(NC(=O)CC(O)=O)cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C21H22ClNO7S/c1-12-7-14(23-19(25)10-20(26)27)8-16(22)21(12)30-15-5-6-17(24)18(9-15)31(28,29)11-13-3-2-4-13/h5-9,13,24H,2-4,10-11H2,1H3,(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
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor beta |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50304777
(2-(4-(7-hydroxy-2,3-dihydro-1H-inden-4-yloxy)-3,5-...)Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c2CCCc12 Show InChI InChI=1S/C19H19NO5/c1-10-8-12(20-18(22)19(23)24)9-11(2)17(10)25-16-7-6-15(21)13-4-3-5-14(13)16/h6-9,21H,3-5H2,1-2H3,(H,20,22)(H,23,24) | 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
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor beta |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50304780
(2-(3,5-dichloro-4-(3-(4-fluorobenzyl)-4-hydroxyphe...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1Cc1ccc(F)cc1 Show InChI InChI=1S/C22H14Cl2FN3O4/c23-17-9-15(28-22(31)27-20(30)11-26-28)10-18(24)21(17)32-16-5-6-19(29)13(8-16)7-12-1-3-14(25)4-2-12/h1-6,8-11,29H,7H2,(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor beta |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50304777
(2-(4-(7-hydroxy-2,3-dihydro-1H-inden-4-yloxy)-3,5-...)Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c2CCCc12 Show InChI InChI=1S/C19H19NO5/c1-10-8-12(20-18(22)19(23)24)9-11(2)17(10)25-16-7-6-15(21)13-4-3-5-14(13)16/h6-9,21H,3-5H2,1-2H3,(H,20,22)(H,23,24) | 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
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor alpha |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50123049
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor beta |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor beta
(Homo sapiens (Human)) | BDBM50304779
(2-(3,5-dichloro-4-(4-hydroxy-3-(1,2,3,4-tetrahydro...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H18Cl2N4O5/c26-19-9-16(31-25(35)29-22(33)12-28-31)10-20(27)23(19)36-17-5-6-21(32)18(11-17)24(34)30-8-7-14-3-1-2-4-15(14)13-30/h1-6,9-12,32H,7-8,13H2,(H,29,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor beta |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50304778
(3-(3-chloro-4-(3-(cyclobutylmethylsulfonyl)-4-hydr...)Show SMILES Cc1cc(NC(=O)CC(O)=O)cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)CC1CCC1 Show InChI InChI=1S/C21H22ClNO7S/c1-12-7-14(23-19(25)10-20(26)27)8-16(22)21(12)30-15-5-6-17(24)18(9-15)31(28,29)11-13-3-2-4-13/h5-9,13,24H,2-4,10-11H2,1H3,(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
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor alpha |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50304781
(2-(4-(3-(4-fluorobenzyl)-4-hydroxyphenoxy)-3,5-dim...)Show SMILES Cc1cc(cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1)-n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C24H20FN3O4/c1-14-9-19(28-24(31)27-22(30)13-26-28)10-15(2)23(14)32-20-7-8-21(29)17(12-20)11-16-3-5-18(25)6-4-16/h3-10,12-13,29H,11H2,1-2H3,(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor alpha |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50304780
(2-(3,5-dichloro-4-(3-(4-fluorobenzyl)-4-hydroxyphe...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1Cc1ccc(F)cc1 Show InChI InChI=1S/C22H14Cl2FN3O4/c23-17-9-15(28-22(31)27-20(30)11-26-28)10-18(24)21(17)32-16-5-6-19(29)13(8-16)7-12-1-3-14(25)4-2-12/h1-6,8-11,29H,7H2,(H,27,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor alpha |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50123049
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor alpha |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha
(Homo sapiens (Human)) | BDBM50304779
(2-(3,5-dichloro-4-(4-hydroxy-3-(1,2,3,4-tetrahydro...)Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C25H18Cl2N4O5/c26-19-9-16(31-25(35)29-22(33)12-28-31)10-20(27)23(19)36-17-5-6-21(32)18(11-17)24(34)30-8-7-14-3-1-2-4-15(14)13-30/h1-6,9-12,32H,7-8,13H2,(H,29,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Binding affinity to thyroid receptor alpha |
Bioorg Med Chem Lett 20: 306-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP |
More data for this
Ligand-Target Pair | |
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