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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-HBYQJFLCSA-N

Data: 2 KI  13 IC50

PDB links: 6 PDB IDs match this monomer.

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)		LigandTarget/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		pHTemp
°C
Na,K-ATPase alpha2beta1


(Homo sapiens (Human))		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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 90n/an/an/an/an/an/an/an/a



Weizmann Institute of Science



Assay Description
Inhibition of Na,K-ATPase activity of the detergent-soluble α1β1, α2β1, and α3β1 complexes by CGs was done exactly as d...

J Biol Chem 289: 21153-62 (2014)


Article DOI: 10.1074/jbc.M114.557629
BindingDB Entry DOI: 10.7270/Q2G44P6T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Na,K-ATPase alpha1beta1


(Homo sapiens (Human))		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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 97n/an/an/an/an/an/an/an/a



Weizmann Institute of Science



Assay Description
Inhibition of Na,K-ATPase activity of the detergent-soluble α1β1, α2β1, and α3β1 complexes by CGs was done exactly as d...

J Biol Chem 289: 21153-62 (2014)


Article DOI: 10.1074/jbc.M114.557629
BindingDB Entry DOI: 10.7270/Q2G44P6T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kruppel-like factor 5


(Homo sapiens (Human))		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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PCBioAssay
n/an/a 29.7n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GNN
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2


(Homo sapiens (Human))		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat kidney Na+/K+ ATPase was determined by fiske subbarow method

Bioorg Med Chem Lett 5: 827-830 (1995)


Article DOI: 10.1016/0960-894X(95)00121-9
BindingDB Entry DOI: 10.7270/Q2XK8FJF
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...

Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Na+/K+ ATPase alpha-3/beta-1


(Rattus norvegicus)		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Na+/K+-ATPase alpha3/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...

J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
BindingDB Entry DOI: 10.7270/Q2T43WJH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Na+/K+ ATPase alpha-2/beta-1


(Rattus norvegicus)		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Na+/K+-ATPase alpha2/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...

J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
BindingDB Entry DOI: 10.7270/Q2T43WJH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Na+/K+ ATPase alpha-1/beta-1


(RAT-Rattus norvegicus)		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Na+/K+-ATPase alpha1/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...

J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
BindingDB Entry DOI: 10.7270/Q2T43WJH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
N+/K+ ATPase alpha-4/beta-1


(Rattus norvegicus)		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...

J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
BindingDB Entry DOI: 10.7270/Q2T43WJH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
N+/K+ ATPase alpha-4/beta-3


(Rattus norvegicus)		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta3 expressed in baculovirus infected Sf9 cell membranes using [gamma-32P]ATP as substrate prein...

J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
BindingDB Entry DOI: 10.7270/Q2T43WJH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL


Assay Description
Displacement of Tracer Red from human ERG expressed in cell membranes by fluorescence polarization assay

J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
BindingDB Entry DOI: 10.7270/Q2T43WJH
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a<97n/an/an/an/an/an/a



Institut Pasteur Korea



Assay Description
Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...

Antimicrob Agents Chemother 64: (2020)


Article DOI: 10.1128/AAC.00819-20
BindingDB Entry DOI: 10.7270/Q22N54QR
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a>3.42E+5n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT

J Nat Prod 54: 143-54


Article DOI: 10.1021/np50073a012
BindingDB Entry DOI: 10.7270/Q2NK3HTG
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))		BDBM50286739
PNG
(4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...)
Show 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 |r,t:33|
Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair