BDBM79536 2-[(5-Bromo-thiophen-2-yl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohex-1-enyl)-methyl]-5,5-dimethyl-cyclohexane-1,3-dione::2-[(5-bromanylthiophen-2-yl)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione::2-[(5-bromo-2-thienyl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone::2-[(5-bromo-2-thiophenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione::2-[(5-bromothiophen-2-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione::MLS000553410::SMR000175563::cid_2832800

SMILES: CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(Br)s2)C(=O)C1

InChI Key: InChIKey=QUDMGCJXAYDVSW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 79536   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neurotensin receptor type 1 (Human)	BDBM79536 (2-[(5-bromo-2-thiophenyl)-(2-hydroxy-4,4-dimethyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a
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