BDBM18868 3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]benzoic acid::dichloro benzoic acid, 11b

SMILES: CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)C(O)=O)ccc1O

InChI Key: InChIKey=TVQYCFFCYRSFQF-UHFFFAOYSA-N

Data: 5 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18868   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM18868 (3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]b...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C16H14Cl2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	130	n/a	190	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha. EC50 is the concentration of compound required to ...				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18868 (3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]b...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C16H14Cl2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	n/a	150	n/a	n/a	7.0	4
Karo Bio AB					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta. EC50 is the concentration of compound required to r...				J Med Chem 46: 1580-8 (2003) Article DOI: 10.1021/jm021080f BindingDB Entry DOI: 10.7270/Q20K26TG
					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18868 (3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]b...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C16H14Cl2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20.9	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of thyroid hormone receptor beta				Bioorg Med Chem 15: 4609-17 (2007) Article DOI: 10.1016/j.bmc.2007.04.015 BindingDB Entry DOI: 10.7270/Q2W37XJQ
					More data for this Ligand-Target Pair				3D Structure (docked)
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18868 (3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]b...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C16H14Cl2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of thyroid hormone receptor alpha				Bioorg Med Chem 15: 4609-17 (2007) Article DOI: 10.1016/j.bmc.2007.04.015 BindingDB Entry DOI: 10.7270/Q2W37XJQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18868 (3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]b...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)C(O)=O)ccc1O Show InChI InChI=1S/C16H14Cl2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Insubria Curated by ChEMBL					Assay Description Inhibition of human thyroid hormone receptor beta 1				Bioorg Med Chem 15: 5251-61 (2007) Article DOI: 10.1016/j.bmc.2007.05.016 BindingDB Entry DOI: 10.7270/Q2PK0HD8
					More data for this Ligand-Target Pair				3D Structure (docked)