BDBM32022 (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride::(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride::(7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride::(7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride::DOXORUBICIN HYDROCHLORIDE::MLS000028393::SMR000058570::cid_443939

SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

InChI Key: InChIKey=AOJJSUZBOXZQNB-UHFFFAOYSA-N

Data: 12 IC50  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 13 hits for monomerid = 32022   

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
Heat shock protein HSP 90-alpha (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	266	n/a	n/a	n/a	n/a	7.4	23
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Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Steroidogenic factor 1 (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	964	n/a	n/a	n/a	n/a	n/a	n/a
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Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Steroidogenic factor 1 (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
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14-3-3 protein gamma (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<781	n/a	n/a	n/a	n/a	n/a	n/a
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Heat shock protein HSP 90-alpha (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) 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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DNA-directed RNA polymerase subunit beta (Escherichia coli)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
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DNA repair protein RAD51 homolog 1 (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Protein LANA1 (HHV-8)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	7.69E+3	n/a	n/a	n/a	n/a
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Apoptotic protease-activating factor 1 (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Apoptotic protease-activating factor 1 (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Caspase-9 (Human)	BDBM32022 (MLS000028393 | (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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