BDBM50375342 CHEMBL258886

SMILES: Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1

InChI Key: InChIKey=LLTQMRYGMABCOB-UHFFFAOYSA-N

Data: 2 Kd  4 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 6 hits for monomerid = 50375342   

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))	BDBM50375342 (CHEMBL258886) Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1 Show InChI InChI=1S/C16H11BrI2N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24)	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	43	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Displacement of [125I]T3 from human TRalpha receptor				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50375342 (CHEMBL258886) Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1 Show InChI InChI=1S/C16H11BrI2N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Displacement of [125I]T3 from human TRbeta receptor				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50375342 (CHEMBL258886) Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1 Show InChI InChI=1S/C16H11BrI2N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24)	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	206	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRalpha transactivation activity in U2OS cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50375342 (CHEMBL258886) Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1 Show InChI InChI=1S/C16H11BrI2N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24)	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	44	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRalpha transactivation activity in HeLa cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50375342 (CHEMBL258886) Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1 Show InChI InChI=1S/C16H11BrI2N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRbeta transactivation activity in HeLa cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50375342 (CHEMBL258886) Show SMILES Oc1[nH]c(=O)[nH]c1Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1 Show InChI InChI=1S/C16H11BrI2N2O4/c17-9-6-8(1-2-13(9)22)25-14-10(18)3-7(4-11(14)19)5-12-15(23)21-16(24)20-12/h1-4,6,22-23H,5H2,(H2,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
University of California-San Francisco Curated by ChEMBL					Assay Description Effect on human TRbeta transactivation activity in U2OS cells by luciferase reporter assay				Bioorg Med Chem 16: 762-70 (2008) Article DOI: 10.1016/j.bmc.2007.10.040 BindingDB Entry DOI: 10.7270/Q2RR2034
					More data for this Ligand-Target Pair