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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'cui' and Initial = 'l'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucagon receptor


(Homo sapiens (Human))
BDBM50396184
PNG
(REDIOCIDE A)
Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35|
Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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n/an/a 4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GCGR expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry


J Nat Prod 75: 1058-62 (2012)


Article DOI: 10.1021/np3000359
BindingDB Entry DOI: 10.7270/Q27S7PW9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 11n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50396184
PNG
(REDIOCIDE A)
Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35|
Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/a 13n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of adrenergic receptor 1a expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry


J Nat Prod 75: 1058-62 (2012)


Article DOI: 10.1021/np3000359
BindingDB Entry DOI: 10.7270/Q27S7PW9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196511
PNG
(CHEMBL3966973)
Show SMILES N\C(=N/O)c1ccc(NC(=O)CNCCc2ccccc2)cc1
PDB

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n/an/a 93n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50396184
PNG
(REDIOCIDE A)
Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35|
Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1
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n/an/a 215n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of adrenergic receptor 1b receptor expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based flu...


J Nat Prod 75: 1058-62 (2012)


Article DOI: 10.1021/np3000359
BindingDB Entry DOI: 10.7270/Q27S7PW9
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM50396184
PNG
(REDIOCIDE A)
Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35|
Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1
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n/an/a 261n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CCR6 expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry


J Nat Prod 75: 1058-62 (2012)


Article DOI: 10.1021/np3000359
BindingDB Entry DOI: 10.7270/Q27S7PW9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196485
PNG
(CHEMBL3928252)
Show SMILES N\C(=N/O)c1ccc(NC(=O)CCNCCc2ccccc2)cc1
PDB

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n/an/a 273n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196484
PNG
(CHEMBL3904789)
Show SMILES CCCCNCC(=O)Nc1ccc(cc1)C(\N)=N\O
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n/an/a 282n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196510
PNG
(CHEMBL3946048)
Show SMILES N\C(=N/O)c1ccc(NC(=O)NCCc2ccccc2)cc1
PDB

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n/an/a 304n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196488
PNG
(CHEMBL3965070)
Show SMILES CCCCCCNCC(=O)Nc1ccc(cc1)C(\N)=N\O
PDB

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n/an/a 381n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196489
PNG
(CHEMBL3937238)
Show SMILES CCCCNCCC(=O)Nc1ccc(cc1)C(\N)=N\O
PDB

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n/an/a 528n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196508
PNG
(CHEMBL3938962)
Show SMILES ONC(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1
PDB

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n/an/a 582n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196509
PNG
(CHEMBL3924154)
Show SMILES CCCCNC(=O)Nc1ccc(cc1)C(\N)=N\O
PDB

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n/an/a 591n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196487
PNG
(CHEMBL3984942)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)C(\N)=N\O
PDB

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n/an/a 599n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196490
PNG
(CHEMBL3955862)
Show SMILES CCCCCCNCCC(=O)Nc1ccc(cc1)C(\N)=N\O
PDB

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n/an/a 602n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196506
PNG
(CHEMBL3938345)
Show SMILES N\C(=N/O)c1ccc(NC(=O)CCCNCCc2ccccc2)cc1
PDB

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n/an/a 697n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196512
PNG
(CHEMBL3947130)
Show SMILES CCCCNCCCC(=O)Nc1ccc(cc1)C(\N)=N\O
PDB

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n/an/a 723n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196486
PNG
(CHEMBL3910411)
Show SMILES CCCCNCCCCC(=O)Nc1ccc(cc1)C(\N)=N\O
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196507
PNG
(CHEMBL3964329)
Show SMILES CCCCCCNCCCCC(=O)Nc1ccc(cc1)C(\N)=N\O
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196513
PNG
(CHEMBL3964362)
Show SMILES N\C(=N/O)c1ccc(NC(=O)CCCCNCCc2ccccc2)cc1
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50196505
PNG
(CHEMBL3919343)
Show SMILES CCCCCCNCCCC(=O)Nc1ccc(cc1)C(\N)=N\O
PDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)
BDBM50204552
PNG
(CHEMBL3959948)
Show SMILES CCC[C@@H]1C\C(C[C@@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r|
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50179012
PNG
(CHEMBL382338 | Sanggenon G)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6@H](-[#6@@H](-[#6]-1)-c1ccc(-[#8])cc1-[#8])-[#6](=O)-c1ccc(-[#8])cc1-[#8])-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc(-[#8])ccc1-[#8] |t:6|
Show InChI InChI=1S/C40H38O11/c1-19(2)4-3-5-20-12-26(24-9-6-22(42)15-30(24)45)36(39(49)25-10-7-23(43)16-31(25)46)28(13-20)37-32(47)18-35-38(40(37)50)33(48)17-34(51-35)27-14-21(41)8-11-29(27)44/h4,6-11,13-16,18,26,28,34,36,41-47,50H,3,5,12,17H2,1-2H3/t26-,28-,34-,36-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50179008
PNG
(CHEMBL204813 | sanggenon C)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6][C@]12[#8]-c3cc(-[#8])c(-[#6@H]-4-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])c3-[#6](=O)[C@@]1([#8])[#8]-c1cc(-[#8])ccc21 |r,t:13|
Show InChI InChI=1S/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39-,40-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)
BDBM50204547
PNG
(CHEMBL3923673)
Show SMILES CCC[C@@H]1CC(C[C@@]2(O1)C(=O)Nc1ccccc21)=NOCc1ccccc1 |r|
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 16: 10356-62 (2008)


Article DOI: 10.1016/j.bmc.2008.10.012
BindingDB Entry DOI: 10.7270/Q251404T
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 16: 10356-62 (2008)


Article DOI: 10.1016/j.bmc.2008.10.012
BindingDB Entry DOI: 10.7270/Q251404T
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50179010
PNG
(CHEMBL378806 | Mulberrofuran C)
Show SMILES CC1=C[C@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 |t:1|
Show InChI InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50185123
PNG
(3beta-hydroxyurs-12-en-27-oic acid | CHEMBL380467)
Show SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C |c:12|
Show InChI InChI=1S/C30H48O3/c1-18-10-13-27(5)16-17-30(25(32)33)20(24(27)19(18)2)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-29(22,30)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27-,28+,29-,30-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50185131
PNG
(3beta-hydroxyolean-12-en-27-oic acid | CHEMBL21097...)
Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1 |c:13|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22+,23-,27+,28-,29+,30+/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)
BDBM50204550
PNG
(CHEMBL3916935)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1ccccc21)NCc1ccccc1 |r|
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n/an/a 6.80E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50370716
PNG
(CHEMBL1081157)
Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:13|
Show InChI InChI=1S/C30H46O3/c1-25(2)14-15-27(5)16-17-30(24(32)33)19(20(27)18-25)8-9-22-28(6)12-11-23(31)26(3,4)21(28)10-13-29(22,30)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27+,28-,29+,30+/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50185122
PNG
(3beta-acetoxyolean-12-en-27-oic acid | CHEMBL20863...)
Show SMILES CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C(O)=O)C1(C)C |t:17|
Show InChI InChI=1S/C32H50O4/c1-20(33)36-25-12-13-30(7)23(28(25,4)5)11-14-31(8)24(30)10-9-21-22-19-27(2,3)15-16-29(22,6)17-18-32(21,31)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23?,24+,25-,29+,30-,31+,32+/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)
BDBM50204547
PNG
(CHEMBL3923673)
Show SMILES CCC[C@@H]1CC(C[C@@]2(O1)C(=O)Nc1ccccc21)=NOCc1ccccc1 |r|
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n/an/a 8.90E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)
BDBM50204553
PNG
(CHEMBL3971022)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(Cc1ccccc1)c1ccccc21)NCc1ccccc1 |r|
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n/an/a 9.10E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)
BDBM50204545
PNG
(CHEMBL3898917)
Show SMILES CCC[C@@H]1CC(=O)C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21 |r|
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n/an/a 9.30E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of VHR DS-PTP


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)
BDBM50204553
PNG
(CHEMBL3971022)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(Cc1ccccc1)c1ccccc21)NCc1ccccc1 |r|
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50185120
PNG
(3alpha,24-dihydroxyolean-12-en-27-oic acid | CHEMB...)
Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2C1 |c:13|
Show InChI InChI=1S/C30H48O4/c1-25(2)13-14-26(3)15-16-30(24(33)34)19(20(26)17-25)7-8-22-27(4)11-10-23(32)28(5,18-31)21(27)9-12-29(22,30)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21?,22+,23+,26+,27-,28+,29+,30+/m0/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)
BDBM50204558
PNG
(CHEMBL3960874)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1cccc(Br)c21)NCc1ccccc1 |r|
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n/an/a 1.20E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50185125
PNG
(3beta,6beta-dihydroxyolean-12-en-27-oic acid | CHE...)
Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5[C@H](O)C[C@@]34C)[C@@H]2C1 |c:13|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-13-27(5)14-15-30(24(33)34)18(19(27)16-25)8-9-21-28(6)11-10-22(32)26(3,4)23(28)20(31)17-29(21,30)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23?,27+,28+,29+,30+/m0/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM23195
PNG
((2S,4aS,6aS,6bR,10S,12aS,12bR,14bR)-10-hydroxy-2,4...)
Show SMILES [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21?,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/a 1.38E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50274831
PNG
((S)-5,7,8'-trihydroxy-2',2'-dimethyl-5'-(3-methylb...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(cc(-[#8])c2-[#8]C([#6])([#6])[#6]=[#6]-c12)-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r,c:15|
Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-15-16-7-8-25(3,4)31-24(16)20(29)11-17(15)21-12-19(28)23-18(27)9-14(26)10-22(23)30-21/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/m0/s1
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n/an/a 1.39E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem 16: 10356-62 (2008)


Article DOI: 10.1016/j.bmc.2008.10.012
BindingDB Entry DOI: 10.7270/Q251404T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)
BDBM50204551
PNG
(CHEMBL3958875)
Show SMILES CCC[C@H]1C\C(C[C@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r|
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n/an/a 1.40E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50185124
PNG
(CHEMBL381707 | methyl 3beta-hydroxyolean-12-en-28-...)
Show SMILES COC(=O)[C@@]12CCC3C(=CC[C@H]4[C@@]3(C)CCC3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]1CC(C)(C)CC2 |c:8|
Show InChI InChI=1S/C30H48O3/c1-26(2)16-17-30(25(32)33-7)15-10-20-19(21(30)18-26)8-9-23-28(20,5)13-11-22-27(3,4)24(31)12-14-29(22,23)6/h8,20-24,31H,9-18H2,1-7H3/t20?,21-,22?,23-,24-,28-,29-,30+/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 16: 3273-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.036
BindingDB Entry DOI: 10.7270/Q2ZP46WV
More data for this
Ligand-Target Pair
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