BDBM50286739 4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one::4-((1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one::4-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one::4-[(R)-1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one::4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one::4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one(Ouabain)::CHEMBL222863::NSC-25485::Ouabain::Ouabain4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one::cid_439501

SMILES: C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=LPMXVESGRSUGHW-UHFFFAOYSA-N

Data: 2 KI  13 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 15 hits for monomerid = 50286739   

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
Signal transducer and activator of transcription 3 [702-738,740-752] (Human)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Signal transducer and activator of transcription 1-alpha/beta (Human)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Krueppel-like factor 5 (Human)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	29.7	n/a	n/a	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (2019-nCoV)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<97	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium/potassium-transporting ATPase subunit alpha-3/beta-1 (Rat)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium/potassium-transporting ATPase subunit alpha-2/beta-1 (Rat)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1/beta-1 (Rat)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium/potassium-transporting ATPase subunit alpha-4/beta-1 (Rat)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Sodium/potassium-transporting ATPase subunit alpha-4/beta-3 (Rat)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2 (Human)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-2/beta-1 (Human)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1/beta-1 (Human)	BDBM50286739 (4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-meth...) Show SMILES Show InChI	GoogleScholar	UniChem		97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair