BindingDB

null

SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O

InChI Key InChIKey=AUYYCJSJGJYCDS-LBPRGKRZSA-N

PDB links: 14 PDB IDs match this monomer. 22 PDB IDs contain this monomer as substructures. 22 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18860

Thyroid hormone receptor alpha(Homo sapiens (Human))
University of California

Curated by ChEMBL

BDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)copy SMILEScopy InChI

Kd: 0.0600nMAssay Description:Binding affinity of compound was determined against Thyroid hormone receptor alpha1More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2NK3DF9PubMed DrugBank
PDB

3D Structure (crystal)

Thyroid hormone receptor beta(Homo sapiens (Human))
University of California

Curated by ChEMBL

BDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)copy SMILEScopy InChI

Kd: 0.0870nMAssay Description:Binding affinity of compound was determined against thyroid hormone receptor beta 1More data for this Ligand-Target Pair

PDB MMDB NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

Purchase CHEMBL DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2NK3DF9PubMed DrugBank
PDB

3D Structure (crystal)

Targets 10 ▿
- Thyroid hormone receptor beta 33
- Thyroid hormone receptor alpha 31
- Prothrombin 3
- Peroxisome proliferator-activated receptor gamma 2
- Solute carrier organic anion transporter family member 1C1 1
- Proliferating cell nuclear antigen 1
- Solute carrier organic anion transporter family member 1
- Androgen receptor 1
- Solute carrier organic anion transporter family member 1A4 1
- Bile salt export pump 1
Publications 29 ▿
- J Med Chem 63: 6727-6740 (2020) 7
- Bioorg Med Chem 16: 762-70 (2008) 6
- ACS Chem Biol 1: 585-93 (2006) 6
- J Med Chem 45: 3310-20 (2002) 4
- Bioorg Med Chem 22: 488-98 (2013) 4
- J Med Chem 38: 695-707 (1995) 3
- Bioorg Med Chem Lett 13: 379-82 (2003) 3
- Bioorg Med Chem Lett 11: 2821-5 (2001) 2
- US Patent US10544075 (2020) 2
- J Med Chem 46: 3152-61 (2003) 2
- Bioorg Med Chem Lett 15: 4579-84 (2005) 2
- Bioorg Med Chem Lett 14: 3549-53 (2004) 2
- Bioorg Med Chem Lett 16: 884-6 (2006) 2
- Bioorg Med Chem Lett 17: 4131-4 (2007) 2
- Chem Biol 5: 299-306 (1998) 2
- Proc Natl Acad Sci U S A 104: 15490-5 (2007) 2
- J Med Chem 51: 7075-93 (2009) 2
- J Med Chem 46: 1580-8 (2003) 2
- Bioorg Med Chem 21: 592-607 (2013) 2
- Bioorg Med Chem 20: 3622-34 (2012) 2
- J Med Chem 57: 3912-23 (2014) 2
- Bioorg Med Chem 21: 1972-7 (2013) 1
- J Biol Chem 288: 33894-911 (2013) 1
- Endocrinology 145: 4384-91 (2004) 1
- Bioorg Med Chem Lett 24: 5265-7 (2014) 1
- J Pharmacol Exp Ther 299: 261-7 (2001) 1
- Bioorg Med Chem 15: 5251-61 (2007) 1
- J Med Chem 54: 8563-73 (2011) 1
- Hepatology 60: 1015-22 (2014) 1
Institutions 22 ▿
- [University of California-San Francisco] 12
- [University of California] 8
- [Goethe-University Frankfurt] 7
- [Karo Bio AB] 6
- [Metabasis Therapeutics, Inc., Sanwa Kagaku Kenkyusho Co., Ltd, Kissei Pharmaceutical Co., Ltd] 4
- [Metabasis Therapeutics, Inc., Sanwa Kagaku Kenkyusho Co., Ltd, Kissei Pharmaceutical Co., Ltd] 4
- [Metabasis Therapeutics, Inc., Sanwa Kagaku Kenkyusho Co., Ltd, Kissei Pharmaceutical Co., Ltd] 4
- [Pfizer Global Research and Development, Ciba Pharmaceuticals] 3
- [Pfizer Global Research and Development, Ciba Pharmaceuticals] 3
- [OREGON HEALTH & SCIENCE UNIVERSITY, Pharmaceutical Research Institute, Bristol-Myers Squibb, University of California, San Francisco, Madrigal Pharmaceuticals, Inc.] 2
- [OREGON HEALTH & SCIENCE UNIVERSITY, Pharmaceutical Research Institute, Bristol-Myers Squibb, University of California, San Francisco, Madrigal Pharmaceuticals, Inc.] 2
- [OREGON HEALTH & SCIENCE UNIVERSITY, Pharmaceutical Research Institute, Bristol-Myers Squibb, University of California, San Francisco, Madrigal Pharmaceuticals, Inc.] 2
- [OREGON HEALTH & SCIENCE UNIVERSITY, Pharmaceutical Research Institute, Bristol-Myers Squibb, University of California, San Francisco, Madrigal Pharmaceuticals, Inc.] 2
- [OREGON HEALTH & SCIENCE UNIVERSITY, Pharmaceutical Research Institute, Bristol-Myers Squibb, University of California, San Francisco, Madrigal Pharmaceuticals, Inc.] 2
- [Kyoto University Hospital, Pfizer Inc., St. Jude Children's Research Hospital, Rudjer Boskovic Institute, The University of Tokyo, University of Insubria, University of British Columbia, Phenex Pharmaceuticals AG] 1
- [Kyoto University Hospital, Pfizer Inc., St. Jude Children's Research Hospital, Rudjer Boskovic Institute, The University of Tokyo, University of Insubria, University of British Columbia, Phenex Pharmaceuticals AG] 1
- [Kyoto University Hospital, Pfizer Inc., St. Jude Children's Research Hospital, Rudjer Boskovic Institute, The University of Tokyo, University of Insubria, University of British Columbia, Phenex Pharmaceuticals AG] 1
- [Kyoto University Hospital, Pfizer Inc., St. Jude Children's Research Hospital, Rudjer Boskovic Institute, The University of Tokyo, University of Insubria, University of British Columbia, Phenex Pharmaceuticals AG] 1
- [Kyoto University Hospital, Pfizer Inc., St. Jude Children's Research Hospital, Rudjer Boskovic Institute, The University of Tokyo, University of Insubria, University of British Columbia, Phenex Pharmaceuticals AG] 1
- [Kyoto University Hospital, Pfizer Inc., St. Jude Children's Research Hospital, Rudjer Boskovic Institute, The University of Tokyo, University of Insubria, University of British Columbia, Phenex Pharmaceuticals AG] 1
- [Kyoto University Hospital, Pfizer Inc., St. Jude Children's Research Hospital, Rudjer Boskovic Institute, The University of Tokyo, University of Insubria, University of British Columbia, Phenex Pharmaceuticals AG] 1
- [Kyoto University Hospital, Pfizer Inc., St. Jude Children's Research Hospital, Rudjer Boskovic Institute, The University of Tokyo, University of Insubria, University of British Columbia, Phenex Pharmaceuticals AG] 1
Affinity: 0.058 to 5.0E+4 nM▿
- Ki 11
- IC50 20
- Kd 13
- EC50 31
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 1
Catalog Cmpds: 1