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Compile Data Set for Download or QSAR

Found 257 hits with Last Name = 'gong' and Initial = 'jx'   
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
mineralocorticoid


(RAT)
BDBM50336275
PNG
(1-oxo-1,3,4,5,6,7,8,9-octahydrobenzo[c][1]oxacyclo...)
Show SMILES CC(=O)Oc1cc2CCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C18H22O6/c1-12(19)23-15-10-14-8-6-4-3-5-7-9-22-18(21)17(14)16(11-15)24-13(2)20/h10-11H,3-9H2,1-2H3
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n/an/a 580n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068975
PNG
(CHEMBL3402413)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H20Br2O4S2/c24-18-10-11-21(25)20(13-18)23(27)28-12-4-2-1-3-5-16-6-8-17(9-7-16)22(26)29-19-14-30-31-15-19/h6-11,13,19H,1-2,4,12,14-15H2
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n/an/a 590n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336276
PNG
(1-oxo-1,3,4,5,6,7,8,9,10,11-decahydrobenzo[c][1]ox...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C20H26O6/c1-14(21)25-17-12-16-10-8-6-4-3-5-7-9-11-24-20(23)19(16)18(13-17)26-15(2)22/h12-13H,3-11H2,1-2H3
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n/an/a 820n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336277
PNG
(1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxa...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C19H24O6/c1-13(20)24-16-11-15-9-7-5-3-4-6-8-10-23-19(22)18(15)17(12-16)25-14(2)21/h11-12H,3-10H2,1-2H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50068975
PNG
(CHEMBL3402413)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H20Br2O4S2/c24-18-10-11-21(25)20(13-18)23(27)28-12-4-2-1-3-5-16-6-8-17(9-7-16)22(26)29-19-14-30-31-15-19/h6-11,13,19H,1-2,4,12,14-15H2
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n/an/a 1.88E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068881
PNG
(CHEMBL3402418)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCCCc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H24Br2O4S2/c24-18-10-11-21(25)20(13-18)23(27)28-12-4-2-1-3-5-16-6-8-17(9-7-16)22(26)29-19-14-30-31-15-19/h6-11,13,19H,1-5,12,14-15H2
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n/an/a 2.68E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068882
PNG
(CHEMBL3402419)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C21H16Br2O4S2/c22-16-8-9-19(23)18(11-16)21(25)26-10-2-1-3-14-4-6-15(7-5-14)20(24)27-17-12-28-29-13-17/h4-9,11,17H,2,10,12-13H2
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n/an/a 2.73E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336278
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OC(C)=O)cc(OC(C)=O)c2C(=O)O1
Show InChI InChI=1S/C20H26O6/c1-13-9-7-5-4-6-8-10-16-11-17(25-14(2)21)12-18(26-15(3)22)19(16)20(23)24-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
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
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 3.02E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B catalytic domain assessed as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.097
BindingDB Entry DOI: 10.7270/Q2K939CS
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
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 3.02E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 23: 5061-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.039
BindingDB Entry DOI: 10.7270/Q2Z60QHS
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
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 3.02E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50336276
PNG
(1-oxo-1,3,4,5,6,7,8,9,10,11-decahydrobenzo[c][1]ox...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C20H26O6/c1-14(21)25-17-12-16-10-8-6-4-3-5-7-9-11-24-20(23)19(16)18(13-17)26-15(2)22/h12-13H,3-11H2,1-2H3
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n/an/a 3.06E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of progesterone receptor ligand binding domain expressed in HEK293T cells


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
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n/an/a 3.22E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of progesterone receptor ligand binding domain expressed in HEK293T cells


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068978
PNG
(CHEMBL3402414)
Show SMILES COc1ccc(C(=O)OCCCCC#Cc2ccc(cc2)C(=O)OC2CSSC2)c(OC)c1
Show InChI InChI=1S/C25H26O6S2/c1-28-20-12-13-22(23(15-20)29-2)25(27)30-14-6-4-3-5-7-18-8-10-19(11-9-18)24(26)31-21-16-32-33-17-21/h8-13,15,21H,3-4,6,14,16-17H2,1-2H3
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n/an/a 4.27E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50068876
PNG
(CHEMBL3402409)
Show SMILES Fc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-20-12-10-18(11-13-20)22(25)27-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)28-21-15-29-30-16-21/h6-13,21H,1-2,4,14-16H2
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n/an/a 4.36E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068937
PNG
(CHEMBL3402407)
Show SMILES Fc1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-21-9-5-4-8-20(21)23(26)27-14-6-2-1-3-7-17-10-12-18(13-11-17)22(25)28-19-15-29-30-16-19/h4-5,8-13,19H,1-2,6,14-16H2
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n/an/a 4.43E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50439593
PNG
(CHEMBL2419072)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OC1CSS(=O)C1
Show InChI InChI=1S/C10H8Br2O3S2/c11-6-1-2-9(12)8(3-6)10(13)15-7-4-16-17(14)5-7/h1-3,7H,4-5H2
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n/an/a 4.54E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 23: 5061-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.039
BindingDB Entry DOI: 10.7270/Q2Z60QHS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50068883
PNG
(CHEMBL3402404)
Show SMILES COc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C24H24O5S2/c1-27-21-13-11-19(12-14-21)23(25)28-15-5-3-2-4-6-18-7-9-20(10-8-18)24(26)29-22-16-30-31-17-22/h7-14,22H,2-3,5,15-17H2,1H3
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n/an/a 4.58E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068876
PNG
(CHEMBL3402409)
Show SMILES Fc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-20-12-10-18(11-13-20)22(25)27-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)28-21-15-29-30-16-21/h6-13,21H,1-2,4,14-16H2
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n/an/a 4.68E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50068883
PNG
(CHEMBL3402404)
Show SMILES COc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C24H24O5S2/c1-27-21-13-11-19(12-14-21)23(25)28-15-5-3-2-4-6-18-7-9-20(10-8-18)24(26)29-22-16-30-31-17-22/h7-14,22H,2-3,5,15-17H2,1H3
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n/an/a 5.13E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068938
PNG
(CHEMBL3402408)
Show SMILES Fc1cccc(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-20-8-5-7-19(14-20)22(25)27-13-4-2-1-3-6-17-9-11-18(12-10-17)23(26)28-21-15-29-30-16-21/h5,7-12,14,21H,1-2,4,13,15-16H2
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n/an/a 5.18E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50068937
PNG
(CHEMBL3402407)
Show SMILES Fc1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-21-9-5-4-8-20(21)23(26)27-14-6-2-1-3-7-17-10-12-18(13-11-17)22(25)28-19-15-29-30-16-19/h4-5,8-13,19H,1-2,6,14-16H2
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n/an/a 6.48E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336279
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OS(=O)(=O)c3ccc(C)cc3)cc(OS(=O)(=O)c3ccc(C)cc3)c2C(=O)O1
Show InChI InChI=1S/C30H34O8S2/c1-21-11-15-26(16-12-21)39(32,33)37-25-19-24-10-8-6-4-5-7-9-23(3)36-30(31)29(24)28(20-25)38-40(34,35)27-17-13-22(2)14-18-27/h11-20,23H,4-10H2,1-3H3/t23-/m1/s1
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n/an/a 6.51E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068883
PNG
(CHEMBL3402404)
Show SMILES COc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C24H24O5S2/c1-27-21-13-11-19(12-14-21)23(25)28-15-5-3-2-4-6-18-7-9-20(10-8-18)24(26)29-22-16-30-31-17-22/h7-14,22H,2-3,5,15-17H2,1H3
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n/an/a 6.55E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50068883
PNG
(CHEMBL3402404)
Show SMILES COc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C24H24O5S2/c1-27-21-13-11-19(12-14-21)23(25)28-15-5-3-2-4-6-18-7-9-20(10-8-18)24(26)29-22-16-30-31-17-22/h7-14,22H,2-3,5,15-17H2,1H3
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n/an/a 6.64E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068977
PNG
(CHEMBL3402415)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCOc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C19H16Br2O5S2/c20-13-3-6-17(21)16(9-13)19(23)25-8-7-24-14-4-1-12(2-5-14)18(22)26-15-10-27-28-11-15/h1-6,9,15H,7-8,10-11H2
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n/an/a 7.26E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50068877
PNG
(CHEMBL3402410)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21NO6S2/c25-22(30-19-15-31-32-16-19)18-12-10-17(11-13-18)7-3-1-2-6-14-29-23(26)20-8-4-5-9-21(20)24(27)28/h4-5,8-13,19H,1-2,6,14-16H2
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n/an/a 7.83E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50068882
PNG
(CHEMBL3402419)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C21H16Br2O4S2/c22-16-8-9-19(23)18(11-16)21(25)26-10-2-1-3-14-4-6-15(7-5-14)20(24)27-17-12-28-29-13-17/h4-9,11,17H,2,10,12-13H2
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n/an/a 8.25E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50336278
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OC(C)=O)cc(OC(C)=O)c2C(=O)O1
Show InChI InChI=1S/C20H26O6/c1-13-9-7-5-4-6-8-10-16-11-17(25-14(2)21)12-18(26-15(3)22)19(16)20(23)24-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1
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n/an/a 8.36E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ERalpha ligand binding domain expressed in HEK293T cells


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50068937
PNG
(CHEMBL3402407)
Show SMILES Fc1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-21-9-5-4-8-20(21)23(26)27-14-6-2-1-3-7-17-10-12-18(13-11-17)22(25)28-19-15-29-30-16-19/h4-5,8-13,19H,1-2,6,14-16H2
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n/an/a 8.67E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50143002
PNG
(CHEMBL3760096)
Show SMILES CCCCc1ccc(cc1)-c1cccc(c1)-c1noc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C27H25N3O/c1-2-3-7-19-12-14-20(15-13-19)21-8-6-9-22(16-21)27-29-26(31-30-27)17-23-18-28-25-11-5-4-10-24(23)25/h4-6,8-16,18,28H,2-3,7,17H2,1H3
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n/an/a 8.80E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B catalytic domain assessed as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.097
BindingDB Entry DOI: 10.7270/Q2K939CS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068976
PNG
(CHEMBL3402417)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCCCOc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H24Br2O5S2/c24-17-7-10-21(25)20(13-17)23(27)29-12-4-2-1-3-11-28-18-8-5-16(6-9-18)22(26)30-19-14-31-32-15-19/h5-10,13,19H,1-4,11-12,14-15H2
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n/an/a 8.85E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50068938
PNG
(CHEMBL3402408)
Show SMILES Fc1cccc(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-20-8-5-7-19(14-20)22(25)27-13-4-2-1-3-6-17-9-11-18(12-10-17)23(26)28-21-15-29-30-16-21/h5,7-12,14,21H,1-2,4,13,15-16H2
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n/an/a 8.91E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336280
PNG
((R)-de-O-methyllasioplodin | CHEMBL1669749)
Show SMILES C[C@@H]1CCCCCCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C16H22O4/c1-11-7-5-3-2-4-6-8-12-9-13(17)10-14(18)15(12)16(19)20-11/h9-11,17-18H,2-8H2,1H3/t11-/m1/s1
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n/an/a 8.93E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142976
PNG
(CHEMBL3758490)
Show SMILES CCCCc1ccc(cc1)-c1ccc(s1)-c1noc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C25H23N3OS/c1-2-3-6-17-9-11-18(12-10-17)22-13-14-23(30-22)25-27-24(29-28-25)15-19-16-26-21-8-5-4-7-20(19)21/h4-5,7-14,16,26H,2-3,6,15H2,1H3
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n/an/a 8.96E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B catalytic domain assessed as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.097
BindingDB Entry DOI: 10.7270/Q2K939CS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068877
PNG
(CHEMBL3402410)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21NO6S2/c25-22(30-19-15-31-32-16-19)18-12-10-17(11-13-18)7-3-1-2-6-14-29-23(26)20-8-4-5-9-21(20)24(27)28/h4-5,8-13,19H,1-2,6,14-16H2
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n/an/a 9.12E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50068938
PNG
(CHEMBL3402408)
Show SMILES Fc1cccc(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-20-8-5-7-19(14-20)22(25)27-13-4-2-1-3-6-17-9-11-18(12-10-17)23(26)28-21-15-29-30-16-21/h5,7-12,14,21H,1-2,4,13,15-16H2
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n/an/a 9.21E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50068876
PNG
(CHEMBL3402409)
Show SMILES Fc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-20-12-10-18(11-13-20)22(25)27-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)28-21-15-29-30-16-21/h6-13,21H,1-2,4,14-16H2
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n/an/a 9.21E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50068877
PNG
(CHEMBL3402410)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21NO6S2/c25-22(30-19-15-31-32-16-19)18-12-10-17(11-13-18)7-3-1-2-6-14-29-23(26)20-8-4-5-9-21(20)24(27)28/h4-5,8-13,19H,1-2,6,14-16H2
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n/an/a 9.25E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50068876
PNG
(CHEMBL3402409)
Show SMILES Fc1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-20-12-10-18(11-13-20)22(25)27-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)28-21-15-29-30-16-21/h6-13,21H,1-2,4,14-16H2
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n/an/a 9.41E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50068879
PNG
(CHEMBL3402412)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21NO6S2/c25-22(18-10-12-20(13-11-18)24(27)28)29-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)30-21-15-31-32-16-21/h6-13,21H,1-2,4,14-16H2
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n/an/a 9.46E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of TCPTP (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142961
PNG
(CHEMBL3758715)
Show SMILES CCCCc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C26H24N4O/c1-2-3-7-18-12-14-19(15-13-18)22-10-6-11-24(28-22)26-29-25(31-30-26)16-20-17-27-23-9-5-4-8-21(20)23/h4-6,8-15,17,27H,2-3,7,16H2,1H3
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n/an/a 9.66E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B catalytic domain assessed as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.097
BindingDB Entry DOI: 10.7270/Q2K939CS
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142959
PNG
(CHEMBL3759405)
Show SMILES CCCOc1ccc(cc1)-c1cccc(n1)-c1noc(Cc2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C25H22N4O2/c1-2-14-30-19-12-10-17(11-13-19)21-8-5-9-23(27-21)25-28-24(31-29-25)15-18-16-26-22-7-4-3-6-20(18)22/h3-13,16,26H,2,14-15H2,1H3
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n/an/a 9.66E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B catalytic domain assessed as hydrolysis of pNPP after 2 mins


Bioorg Med Chem Lett 26: 778-81 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.097
BindingDB Entry DOI: 10.7270/Q2K939CS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50068881
PNG
(CHEMBL3402418)
Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCCCc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H24Br2O4S2/c24-18-10-11-21(25)20(13-18)23(27)28-12-4-2-1-3-5-16-6-8-17(9-7-16)22(26)29-19-14-30-31-15-19/h6-11,13,19H,1-5,12,14-15H2
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n/an/a 9.69E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068878
PNG
(CHEMBL3402411)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21NO6S2/c25-22(19-7-5-8-20(14-19)24(27)28)29-13-4-2-1-3-6-17-9-11-18(12-10-17)23(26)30-21-15-31-32-16-21/h5,7-12,14,21H,1-2,4,13,15-16H2
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n/an/a 9.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ERalpha ligand binding domain expressed in HEK293T cells


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50068938
PNG
(CHEMBL3402408)
Show SMILES Fc1cccc(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-20-8-5-7-19(14-20)22(25)27-13-4-2-1-3-6-17-9-11-18(12-10-17)23(26)28-21-15-29-30-16-21/h5,7-12,14,21H,1-2,4,13,15-16H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50068879
PNG
(CHEMBL3402412)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21NO6S2/c25-22(18-10-12-20(13-11-18)24(27)28)29-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)30-21-15-31-32-16-21/h6-13,21H,1-2,4,14-16H2
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n/an/a 1.01E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50068937
PNG
(CHEMBL3402407)
Show SMILES Fc1ccccc1C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1
Show InChI InChI=1S/C23H21FO4S2/c24-21-9-5-4-8-20(21)23(26)27-14-6-2-1-3-7-17-10-12-18(13-11-17)22(25)28-19-15-29-30-16-19/h4-5,8-13,19H,1-2,6,14-16H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin)


Bioorg Med Chem Lett 25: 2211-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.060
BindingDB Entry DOI: 10.7270/Q2MC91Q7
More data for this
Ligand-Target Pair
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