BDBM50009219 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione::CHEMBL45830::MILTIRONE::acs.jmedchem.1c00409_ST.608::miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione

SMILES: CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O

InChI Key: InChIKey=FEFAIBOZOKSLJR-UHFFFAOYSA-N

Data: 7 KI  6 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 13 hits for monomerid = 50009219   

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
Replicase polyprotein 1ab (SARS-CoV)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (SARS-CoV)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (SARS-CoV)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (SARS-CoV)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (SARS-CoV)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Papain (Papaya)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cocaine esterase (Human)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cocaine esterase (Human)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Liver carboxylesterase 1 (Human)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Liver carboxylesterase 1 (Human)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1a (SARS-CoV)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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