BDBM50333649 (3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(4-(3-aminopropylamino)butylamino)propylamino)-7-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptan-3-yl hydrogen sulfate::CHEMBL508583::trodusquemine

SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(O)(=O)=O

InChI Key InChIKey=WUJVPODXELZABP-FWJXURDUSA-N

Data  5 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50333649   

TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50333649((3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(...)
Show SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(O)(=O)=O
Show InChI InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of full length PTP1B (unknown origin) after 30 mins by ELISAMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50333649((3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(...)
Show SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(O)(=O)=O
Show InChI InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant PTP1BMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50333649((3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(...)
Show SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(O)(=O)=O
Show InChI InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated with substrate for 10 mi...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50333649((3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(...)
Show SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(O)(=O)=O
Show InChI InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of full length PTP1B (unknown origin) by ELISAMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50333649((3R,6R)-6-((3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-(3-(...)
Show SMILES CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN)OS(O)(=O)=O
Show InChI InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair