BDBM50012915 CHEMBL3261335::USRE46024, 9

SMILES: CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O

InChI Key: InChIKey=GBAQQDSIAACDRK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50012915   

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 Beta/ Retinoid X Receptor (Homo sapiens (Human))	BDBM50012915 (CHEMBL3261335 | USRE46024, 9) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C16H13Cl2N5O4/c1-7(2)9-5-13(21-22-15(9)25)27-14-10(17)3-8(4-11(14)18)23-16(26)20-12(24)6-19-23/h3-7H,1-2H3,(H,22,25)(H,20,24,26)	PDB KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	115	n/a	n/a	7.0	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Thirty microliters of H6-TRβ (50 nM) in 50 mM Hepes, pH 7.0, 1 mM DTT, 0.05% NP40 and 0.2 mg/ml BSA (Binding Buffer) was mixed with an equal vol...				US Patent USRE46024 (2016) BindingDB Entry DOI: 10.7270/Q24X56PH
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM50012915 (CHEMBL3261335 | USRE46024, 9) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C16H13Cl2N5O4/c1-7(2)9-5-13(21-22-15(9)25)27-14-10(17)3-8(4-11(14)18)23-16(26)20-12(24)6-19-23/h3-7H,1-2H3,(H,22,25)(H,20,24,26)	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	410	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-alpha (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 ...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM50012915 (CHEMBL3261335 | USRE46024, 9) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C16H13Cl2N5O4/c1-7(2)9-5-13(21-22-15(9)25)27-14-10(17)3-8(4-11(14)18)23-16(26)20-12(24)6-19-23/h3-7H,1-2H3,(H,22,25)(H,20,24,26)	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	120	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant His6-tagged THR-beta (unknown origin) expressed in Escherichia coli BL21(DE3) co-expressing RXR preincubated for 30 m...				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair