BDBM18936 2-{3,5-dichloro-4-[4-hydroxy-3-(1,3-thiazol-2-yl)phenoxy]phenyl}acetic acid::4-hydroxy thyromimetic, 9r

SMILES: OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2nccs2)c(Cl)c1

InChI Key: InChIKey=AGCPOGPDHHGRRI-UHFFFAOYSA-N

Data: 5 IC50

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 = 18936   

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))	BDBM18936 (2-{3,5-dichloro-4-[4-hydroxy-3-(1,3-thiazol-2-yl)p...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2nccs2)c(Cl)c1 Show InChI InChI=1S/C17H11Cl2NO4S/c18-12-5-9(7-15(22)23)6-13(19)16(12)24-10-1-2-14(21)11(8-10)17-20-3-4-25-17/h1-6,8,21H,7H2,(H,22,23)	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	558	n/a	n/a	n/a	n/a	7.0	4
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRalpha.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18936 (2-{3,5-dichloro-4-[4-hydroxy-3-(1,3-thiazol-2-yl)p...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2nccs2)c(Cl)c1 Show InChI InChI=1S/C17H11Cl2NO4S/c18-12-5-9(7-15(22)23)6-13(19)16(12)24-10-1-2-14(21)11(8-10)17-20-3-4-25-17/h1-6,8,21H,7H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb					Assay Description IC50 is the concentration of each compound required to inhibit 50% binding of 125I-T3 to hTRbeta.				Bioorg Med Chem Lett 14: 3549-53 (2004) Article DOI: 10.1016/j.bmcl.2004.04.032 BindingDB Entry DOI: 10.7270/Q2736P5M
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18936 (2-{3,5-dichloro-4-[4-hydroxy-3-(1,3-thiazol-2-yl)p...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2nccs2)c(Cl)c1 Show InChI InChI=1S/C17H11Cl2NO4S/c18-12-5-9(7-15(22)23)6-13(19)16(12)24-10-1-2-14(21)11(8-10)17-20-3-4-25-17/h1-6,8,21H,7H2,(H,22,23)	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	562	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))	BDBM18936 (2-{3,5-dichloro-4-[4-hydroxy-3-(1,3-thiazol-2-yl)p...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2nccs2)c(Cl)c1 Show InChI InChI=1S/C17H11Cl2NO4S/c18-12-5-9(7-15(22)23)6-13(19)16(12)24-10-1-2-14(21)11(8-10)17-20-3-4-25-17/h1-6,8,21H,7H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28.2	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
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18936 (2-{3,5-dichloro-4-[4-hydroxy-3-(1,3-thiazol-2-yl)p...) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2nccs2)c(Cl)c1 Show InChI InChI=1S/C17H11Cl2NO4S/c18-12-5-9(7-15(22)23)6-13(19)16(12)24-10-1-2-14(21)11(8-10)17-20-3-4-25-17/h1-6,8,21H,7H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28.2	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