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5 similar compounds to monomer 50347463

Compile data set for download or QSAR
Wt: 549.6
BDBM50064030
Wt: 372.4
BDBM50114970
Wt: 918.8
BDBM50179254
Wt: 416.4
BDBM50241784
Wt: 416.4
BDBM50241785

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50064030,50114970,50179254,50241784,50241785   
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
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR4.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR1


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR5.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR3.


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50064030
PNG
(5-((2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-methoxy...)
Show SMILES CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C33H43NO6/c1-35-33-32(39-24-28-18-10-4-11-19-28)31(38-23-27-16-8-3-9-17-27)30(37-22-26-14-6-2-7-15-26)29(40-33)25-36-21-13-5-12-20-34/h2-4,6-11,14-19,29-33H,5,12-13,20-25,34H2,1H3/t29-,30-,31+,32-,33-/m1/s1
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4.60E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for human receptor subtype hSSTR2


J Med Chem 41: 1382-91 (1998)


Article DOI: 10.1021/jm9800346
BindingDB Entry DOI: 10.7270/Q28S4P2Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50241785
PNG
(3-O-benzoylpolygolitosyl-(2->1)-alpha-galactose | ...)
Show SMILES OC[C@@H]1OC[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](OCc3ccccc3)[C@@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H28O10/c20-6-11-14(22)15(23)13(9-26-11)29-19-17(25)18(16(24)12(7-21)28-19)27-8-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2/t11-,12-,13+,14-,15-,16+,17-,18+,19-/m0/s1
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n/an/a 6.04E+3n/an/an/an/an/an/a



Medical and Pharmaceutical Industry Technology and Development Center

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in MDCK cell membrane


J Nat Prod 69: 1305-9 (2006)


Article DOI: 10.1021/np060207r
BindingDB Entry DOI: 10.7270/Q2N29WQS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50241784
PNG
(6-O-benzoyl polygolitosyl-(2->1)-alpha-galactose |...)
Show SMILES OC[C@@H]1OC[C@@H](O[C@@H]2O[C@@H](COCc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C19H28O10/c20-6-11-14(21)15(22)13(9-27-11)29-19-18(25)17(24)16(23)12(28-19)8-26-7-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2/t11-,12-,13+,14-,15-,16+,17+,18-,19-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Medical and Pharmaceutical Industry Technology and Development Center

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in MDCK cell membrane


J Nat Prod 69: 1305-9 (2006)


Article DOI: 10.1021/np060207r
BindingDB Entry DOI: 10.7270/Q2N29WQS
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50179254
PNG
((2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-2-{[(2R,3S,4...)
Show SMILES OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]5OCc5ccccc5)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C37H58O26/c38-6-13-18(43)23(48)25(50)33(55-13)60-29-20(45)15(8-40)56-34(26(29)51)61-30-21(46)16(9-41)57-35(27(30)52)62-31-22(47)17(10-42)58-36(28(31)53)63-32-24(49)19(44)14(7-39)59-37(32)54-11-12-4-2-1-3-5-12/h1-5,13-53H,6-11H2/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+/m1/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet heparanase by Microcon ultrafiltration assay


J Med Chem 48: 8229-36 (2005)


Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM50179254
PNG
((2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-2-{[(2R,3S,4...)
Show SMILES OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]5OCc5ccccc5)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C37H58O26/c38-6-13-18(43)23(48)25(50)33(55-13)60-29-20(45)15(8-40)56-34(26(29)51)61-30-21(46)16(9-41)57-35(27(30)52)62-31-22(47)17(10-42)58-36(28(31)53)63-32-24(49)19(44)14(7-39)59-37(32)54-11-12-4-2-1-3-5-12/h1-5,13-53H,6-11H2/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+/m1/s1
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n/an/an/a 1.70n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Binding affinity for VEGF by BIAcore solution affinity assay


J Med Chem 48: 8229-36 (2005)


Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V
More data for this
Ligand-Target Pair
Acidic fibroblast growth factor


(Homo sapiens (Human))
BDBM50179254
PNG
((2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-2-{[(2R,3S,4...)
Show SMILES OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]5OCc5ccccc5)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C37H58O26/c38-6-13-18(43)23(48)25(50)33(55-13)60-29-20(45)15(8-40)56-34(26(29)51)61-30-21(46)16(9-41)57-35(27(30)52)62-31-22(47)17(10-42)58-36(28(31)53)63-32-24(49)19(44)14(7-39)59-37(32)54-11-12-4-2-1-3-5-12/h1-5,13-53H,6-11H2/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+/m1/s1
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n/an/an/a 120n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Binding affinity for FGF1 by BIAcore solution affinity assay


J Med Chem 48: 8229-36 (2005)


Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50114970
PNG
((6R,7R,8aR)-8-Benzyloxy-6-methoxy-2-phenyl-hexahyd...)
Show SMILES CO[C@@H]1OC2COC(O[C@H]2C(OCc2ccccc2)[C@H]1O)c1ccccc1
Show InChI InChI=1S/C21H24O6/c1-23-21-17(22)19(24-12-14-8-4-2-5-9-14)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16?,17-,18-,19?,20?,21-/m1/s1
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n/an/a 4.85E+3n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 12: 1763-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00220-2
BindingDB Entry DOI: 10.7270/Q22R3S65
More data for this
Ligand-Target Pair
Basic fibroblast growth factor


(Homo sapiens (Human))
BDBM50179254
PNG
((2R,3S,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-2-{[(2R,3S,4...)
Show SMILES OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]5OCc5ccccc5)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C37H58O26/c38-6-13-18(43)23(48)25(50)33(55-13)60-29-20(45)15(8-40)56-34(26(29)51)61-30-21(46)16(9-41)57-35(27(30)52)62-31-22(47)17(10-42)58-36(28(31)53)63-32-24(49)19(44)14(7-39)59-37(32)54-11-12-4-2-1-3-5-12/h1-5,13-53H,6-11H2/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+/m1/s1
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n/an/an/a 86n/an/an/an/an/a



Progen Industries Limited

Curated by ChEMBL


Assay Description
Binding affinity for FGF2 by BIAcore solution affinity assay


J Med Chem 48: 8229-36 (2005)


Article DOI: 10.1021/jm050618p
BindingDB Entry DOI: 10.7270/Q2MG7P2V
More data for this
Ligand-Target Pair