Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50031879 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320946
((3S,20S,23S)-3-(4'-Carboxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(cc2)-[#6](-[#8])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C37H50O7/c1-21(2)19-24-20-37(42,33(41)43-24)27-13-12-26-25(27)11-14-29-35(26,5)17-15-28-34(3,4)30(16-18-36(28,29)6)44-32(40)23-9-7-22(8-10-23)31(38)39/h7-10,19,24-30,42H,11-18,20H2,1-6H3,(H,38,39)/t24-,25+,26-,27+,28+,29+,30+,35+,36+,37+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320945
((3S,20S,23S)-3-(3'-Carboxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2cccc(c2)-[#6](-[#8])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C37H50O7/c1-21(2)18-24-20-37(42,33(41)43-24)27-12-11-26-25(27)10-13-29-35(26,5)16-14-28-34(3,4)30(15-17-36(28,29)6)44-32(40)23-9-7-8-22(19-23)31(38)39/h7-9,18-19,24-30,42H,10-17,20H2,1-6H3,(H,38,39)/t24-,25+,26-,27+,28+,29+,30+,35+,36+,37+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320947
((3S,20S,23S)-3-(3'-Nitro-4'-carboxybenzoyloxy)-20,...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(-[#6](-[#8])=O)c(c2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C37H49NO9/c1-20(2)17-22-19-37(43,33(42)46-22)26-11-10-25-23(26)9-12-29-35(25,5)15-13-28-34(3,4)30(14-16-36(28,29)6)47-32(41)21-7-8-24(31(39)40)27(18-21)38(44)45/h7-8,17-18,22-23,25-26,28-30,43H,9-16,19H2,1-6H3,(H,39,40)/t22-,23+,25-,26+,28+,29+,30+,35+,36+,37+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320946
((3S,20S,23S)-3-(4'-Carboxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(cc2)-[#6](-[#8])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C37H50O7/c1-21(2)19-24-20-37(42,33(41)43-24)27-13-12-26-25(27)11-14-29-35(26,5)17-15-28-34(3,4)30(16-18-36(28,29)6)44-32(40)23-9-7-22(8-10-23)31(38)39/h7-10,19,24-30,42H,11-18,20H2,1-6H3,(H,38,39)/t24-,25+,26-,27+,28+,29+,30+,35+,36+,37+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320947
((3S,20S,23S)-3-(3'-Nitro-4'-carboxybenzoyloxy)-20,...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(-[#6](-[#8])=O)c(c2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C37H49NO9/c1-20(2)17-22-19-37(43,33(42)46-22)26-11-10-25-23(26)9-12-29-35(25,5)15-13-28-34(3,4)30(14-16-36(28,29)6)47-32(41)21-7-8-24(31(39)40)27(18-21)38(44)45/h7-8,17-18,22-23,25-26,28-30,43H,9-16,19H2,1-6H3,(H,39,40)/t22-,23+,25-,26+,28+,29+,30+,35+,36+,37+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320943
((3S,20S,23S)-3-(4'-Nitrobenzoyloxy)-20,23-dihydrox...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(cc2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H49NO7/c1-21(2)19-24-20-36(40,32(39)43-24)27-13-12-26-25(27)11-14-29-34(26,5)17-15-28-33(3,4)30(16-18-35(28,29)6)44-31(38)22-7-9-23(10-8-22)37(41)42/h7-10,19,24-30,40H,11-18,20H2,1-6H3/t24-,25+,26-,27+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320944
((3S,20S,23S)-3-(2',4'-Dinitrobenzoyloxy)-20,23-dih...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(cc2-[#7+](-[#8-])=O)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H48N2O9/c1-20(2)17-22-19-36(41,32(40)46-22)26-11-10-25-23(26)9-12-29-34(25,5)15-13-28-33(3,4)30(14-16-35(28,29)6)47-31(39)24-8-7-21(37(42)43)18-27(24)38(44)45/h7-8,17-18,22-23,25-26,28-30,41H,9-16,19H2,1-6H3/t22-,23+,25-,26+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320945
((3S,20S,23S)-3-(3'-Carboxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2cccc(c2)-[#6](-[#8])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C37H50O7/c1-21(2)18-24-20-37(42,33(41)43-24)27-12-11-26-25(27)10-13-29-35(26,5)16-14-28-34(3,4)30(15-17-36(28,29)6)44-32(40)23-9-7-8-22(19-23)31(38)39/h7-9,18-19,24-30,42H,10-17,20H2,1-6H3,(H,38,39)/t24-,25+,26-,27+,28+,29+,30+,35+,36+,37+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320942
((3S,20S,23S)-3-(3'-Nitrobenzoyloxy)-20,23-dihydrox...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2cccc(c2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H49NO7/c1-21(2)18-24-20-36(40,32(39)43-24)27-12-11-26-25(27)10-13-29-34(26,5)16-14-28-33(3,4)30(15-17-35(28,29)6)44-31(38)22-8-7-9-23(19-22)37(41)42/h7-9,18-19,24-30,40H,10-17,20H2,1-6H3/t24-,25+,26-,27+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320938
((3S,20S,23S)-3-(2'-Methoxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]-[#8]-c1ccccc1-[#6](=O)-[#8]-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C37H52O6/c1-22(2)20-23-21-37(40,33(39)42-23)27-14-13-26-24(27)12-15-30-35(26,5)18-16-29-34(3,4)31(17-19-36(29,30)6)43-32(38)25-10-8-9-11-28(25)41-7/h8-11,20,23-24,26-27,29-31,40H,12-19,21H2,1-7H3/t23-,24+,26-,27+,29+,30+,31+,35+,36+,37+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320941
((3S,20S,23S)-3-(2'-Nitrobenzoyloxy)-20,23-dihydrox...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccccc2-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H49NO7/c1-21(2)19-22-20-36(40,32(39)43-22)26-13-12-25-23(26)11-14-29-34(25,5)17-15-28-33(3,4)30(16-18-35(28,29)6)44-31(38)24-9-7-8-10-27(24)37(41)42/h7-10,19,22-23,25-26,28-30,40H,11-18,20H2,1-6H3/t22-,23+,25-,26+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320939
((3S,20S,23S)-3-(3'-Methoxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]-[#8]-c1cccc(c1)-[#6](=O)-[#8]-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C37H52O6/c1-22(2)19-25-21-37(40,33(39)42-25)28-13-12-27-26(28)11-14-30-35(27,5)17-15-29-34(3,4)31(16-18-36(29,30)6)43-32(38)23-9-8-10-24(20-23)41-7/h8-10,19-20,25-31,40H,11-18,21H2,1-7H3/t25-,26+,27-,28+,29+,30+,31+,35+,36+,37+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320942
((3S,20S,23S)-3-(3'-Nitrobenzoyloxy)-20,23-dihydrox...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2cccc(c2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H49NO7/c1-21(2)18-24-20-36(40,32(39)43-24)27-12-11-26-25(27)10-13-29-34(26,5)16-14-28-33(3,4)30(15-17-35(28,29)6)44-31(38)22-8-7-9-23(19-22)37(41)42/h7-9,18-19,24-30,40H,10-17,20H2,1-6H3/t24-,25+,26-,27+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320937
((3S,20S,23S)-3-(2'-pyridinylcarbonyloxy)-20,23-dih...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccccn2)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C35H49NO5/c1-21(2)19-22-20-35(39,31(38)40-22)25-12-11-24-23(25)10-13-28-33(24,5)16-14-27-32(3,4)29(15-17-34(27,28)6)41-30(37)26-9-7-8-18-36-26/h7-9,18-19,22-25,27-29,39H,10-17,20H2,1-6H3/t22-,23+,24-,25+,27+,28+,29+,33+,34+,35+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320940
((3S,20S,23S)-3-(4'-Methoxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C37H52O6/c1-22(2)20-25-21-37(40,33(39)42-25)28-14-13-27-26(28)12-15-30-35(27,5)18-16-29-34(3,4)31(17-19-36(29,30)6)43-32(38)23-8-10-24(41-7)11-9-23/h8-11,20,25-31,40H,12-19,21H2,1-7H3/t25-,26+,27-,28+,29+,30+,31+,35+,36+,37+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320936
((3S,20S,23S)-3-Benzoyl-20,23-dihydroxydammar-24-en...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#6](=O)-c2ccccc2)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H50O4/c1-22(2)20-24-21-36(39,32(38)40-24)27-14-13-26-25(27)12-15-30-34(26,5)19-17-29-33(3,4)28(16-18-35(29,30)6)31(37)23-10-8-7-9-11-23/h7-11,20,24-30,39H,12-19,21H2,1-6H3/t24-,25+,26-,27+,28-,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320944
((3S,20S,23S)-3-(2',4'-Dinitrobenzoyloxy)-20,23-dih...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(cc2-[#7+](-[#8-])=O)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H48N2O9/c1-20(2)17-22-19-36(41,32(40)46-22)26-11-10-25-23(26)9-12-29-34(25,5)15-13-28-33(3,4)30(14-16-35(28,29)6)47-31(39)24-8-7-21(37(42)43)18-27(24)38(44)45/h7-8,17-18,22-23,25-26,28-30,41H,9-16,19H2,1-6H3/t22-,23+,25-,26+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320941
((3S,20S,23S)-3-(2'-Nitrobenzoyloxy)-20,23-dihydrox...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccccc2-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H49NO7/c1-21(2)19-22-20-36(40,32(39)43-22)26-13-12-25-23(26)11-14-29-34(25,5)17-15-28-33(3,4)30(16-18-35(28,29)6)44-31(38)24-9-7-8-10-27(24)37(41)42/h7-10,19,22-23,25-26,28-30,40H,11-18,20H2,1-6H3/t22-,23+,25-,26+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320940
((3S,20S,23S)-3-(4'-Methoxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C37H52O6/c1-22(2)20-25-21-37(40,33(39)42-25)28-14-13-27-26(28)12-15-30-35(27,5)18-16-29-34(3,4)31(17-19-36(29,30)6)43-32(38)23-8-10-24(41-7)11-9-23/h8-11,20,25-31,40H,12-19,21H2,1-7H3/t25-,26+,27-,28+,29+,30+,31+,35+,36+,37+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320938
((3S,20S,23S)-3-(2'-Methoxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]-[#8]-c1ccccc1-[#6](=O)-[#8]-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C37H52O6/c1-22(2)20-23-21-37(40,33(39)42-23)27-14-13-26-24(27)12-15-30-35(26,5)18-16-29-34(3,4)31(17-19-36(29,30)6)43-32(38)25-10-8-9-11-28(25)41-7/h8-11,20,23-24,26-27,29-31,40H,12-19,21H2,1-7H3/t23-,24+,26-,27+,29+,30+,31+,35+,36+,37+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320935
((3S,20S,23S)-3-(2'-pentanoyl)-20,23-dihydroxydamma...)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C34H54O4/c1-8-9-10-27(35)26-15-17-33(7)28(31(26,4)5)16-18-32(6)24-12-13-25(23(24)11-14-29(32)33)34(37)20-22(19-21(2)3)38-30(34)36/h19,22-26,28-29,37H,8-18,20H2,1-7H3/t22-,23+,24-,25+,26-,28+,29+,32+,33+,34+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320936
((3S,20S,23S)-3-Benzoyl-20,23-dihydroxydammar-24-en...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#6](=O)-c2ccccc2)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H50O4/c1-22(2)20-24-21-36(39,32(38)40-24)27-14-13-26-25(27)12-15-30-34(26,5)19-17-29-33(3,4)28(16-18-35(29,30)6)31(37)23-10-8-7-9-11-23/h7-11,20,24-30,39H,12-19,21H2,1-6H3/t24-,25+,26-,27+,28-,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320934
((3S,20S,23S)-3-Propionyl-20,23-dihydroxydammar-24-...)Show SMILES [#6]-[#6]-[#6](=O)-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C32H50O4/c1-8-25(33)24-13-15-31(7)26(29(24,4)5)14-16-30(6)22-10-11-23(21(22)9-12-27(30)31)32(35)18-20(17-19(2)3)36-28(32)34/h17,20-24,26-27,35H,8-16,18H2,1-7H3/t20-,21+,22-,23+,24-,26+,27+,30+,31+,32+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320943
((3S,20S,23S)-3-(4'-Nitrobenzoyloxy)-20,23-dihydrox...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccc(cc2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H49NO7/c1-21(2)19-24-20-36(40,32(39)43-24)27-13-12-26-25(27)11-14-29-34(26,5)17-15-28-33(3,4)30(16-18-35(28,29)6)44-31(38)22-7-9-23(10-8-22)37(41)42/h7-10,19,24-30,40H,11-18,20H2,1-6H3/t24-,25+,26-,27+,28+,29+,30+,34+,35+,36+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320937
((3S,20S,23S)-3-(2'-pyridinylcarbonyloxy)-20,23-dih...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#8]-[#6](=O)-c2ccccn2)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C35H49NO5/c1-21(2)19-22-20-35(39,31(38)40-22)25-12-11-24-23(25)10-13-28-33(24,5)16-14-27-32(3,4)29(15-17-34(27,28)6)41-30(37)26-9-7-8-18-36-26/h7-9,18-19,22-25,27-29,39H,10-17,20H2,1-6H3/t22-,23+,24-,25+,27+,28+,29+,33+,34+,35+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320931
((3R,5R)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H]-1-[#6][C@@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C29H46O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-24,30,32H,7-14,16H2,1-6H3/t18-,19-,20+,21-,22-,23-,24-,27-,28-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320949
((3S,20S,23S)-3-(4'-Nitrobenzylamino)-20,23-dihydro...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6](-[#6]-[#6][C@]23[#6])-[#7]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H52N2O5/c1-22(2)19-25-20-36(40,32(39)43-25)28-13-12-27-26(28)11-14-30-34(27,5)17-15-29-33(3,4)31(16-18-35(29,30)6)37-21-23-7-9-24(10-8-23)38(41)42/h7-10,19,25-31,37,40H,11-18,20-21H2,1-6H3/t25-,26+,27-,28+,29+,30+,31?,34+,35+,36+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320931
((3R,5R)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H]-1-[#6][C@@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C29H46O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-24,30,32H,7-14,16H2,1-6H3/t18-,19-,20+,21-,22-,23-,24-,27-,28-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320950
((3S,5S)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C29H46O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-24,30,32H,7-14,16H2,1-6H3/t18-,19+,20-,21+,22+,23+,24+,27+,28+,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320948
((3S,20S,23S)-3-(3',5'-Difluorobenzylamino)-20,23-d...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6](-[#6]-[#6][C@]23[#6])-[#7]-[#6]-c2cc(F)cc(F)c2)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H51F2NO3/c1-21(2)15-25-19-36(41,32(40)42-25)28-9-8-27-26(28)7-10-30-34(27,5)13-11-29-33(3,4)31(12-14-35(29,30)6)39-20-22-16-23(37)18-24(38)17-22/h15-18,25-31,39,41H,7-14,19-20H2,1-6H3/t25-,26+,27-,28+,29+,30+,31?,34+,35+,36+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320935
((3S,20S,23S)-3-(2'-pentanoyl)-20,23-dihydroxydamma...)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C34H54O4/c1-8-9-10-27(35)26-15-17-33(7)28(31(26,4)5)16-18-32(6)24-12-13-25(23(24)11-14-29(32)33)34(37)20-22(19-21(2)3)38-30(34)36/h19,22-26,28-29,37H,8-18,20H2,1-7H3/t22-,23+,24-,25+,26-,28+,29+,32+,33+,34+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320939
((3S,20S,23S)-3-(3'-Methoxybenzoyloxy)-20,23-dihydr...)Show SMILES [#6]-[#8]-c1cccc(c1)-[#6](=O)-[#8]-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C37H52O6/c1-22(2)19-25-21-37(40,33(39)42-25)28-13-12-27-26(28)11-14-30-35(27,5)17-15-29-34(3,4)31(16-18-36(29,30)6)43-32(38)23-9-8-10-24(20-23)41-7/h8-10,19-20,25-31,40H,11-18,21H2,1-7H3/t25-,26+,27-,28+,29+,30+,31+,35+,36+,37+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320933
((3S,20S,23S)-3-Acetoxyl-20,23-dihydroxydammar-24-e...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@H](-[#6]-[#6][C@]23[#6])-[#6](-[#6])=O)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C31H48O4/c1-18(2)16-20-17-31(34,27(33)35-20)24-10-9-23-21(24)8-11-26-29(23,6)15-13-25-28(4,5)22(19(3)32)12-14-30(25,26)7/h16,20-26,34H,8-15,17H2,1-7H3/t20-,21+,22-,23-,24+,25+,26+,29+,30+,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320932
((3S,5S)-3-hydroxy-5-(2-methylprop-1-enyl)-3-((5R,8...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6](=O)-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C29H44O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-23,32H,7-14,16H2,1-6H3/t18-,19+,20-,21+,22+,23+,27+,28+,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320934
((3S,20S,23S)-3-Propionyl-20,23-dihydroxydammar-24-...)Show SMILES [#6]-[#6]-[#6](=O)-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H](-[#6]-[#6][C@@]3([#6])[#6@@H]-4-[#6]-[#6]-[#6@@H](-[#6@H]-4-[#6]-[#6]-[#6@H]23)[C@@]2([#8])[#6]-[#6@H](-[#8]-[#6]2=O)\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |r| Show InChI InChI=1S/C32H50O4/c1-8-25(33)24-13-15-31(7)26(29(24,4)5)14-16-30(6)22-10-11-23(21(22)9-12-27(30)31)32(35)18-20(17-19(2)3)36-28(32)34/h17,20-24,26-27,35H,8-16,18H2,1-7H3/t20-,21+,22-,23+,24-,26+,27+,30+,31+,32+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50320950
((3S,5S)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C29H46O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-24,30,32H,7-14,16H2,1-6H3/t18-,19+,20-,21+,22+,23+,24+,27+,28+,29+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50320932
((3S,5S)-3-hydroxy-5-(2-methylprop-1-enyl)-3-((5R,8...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H]-1-[#6][C@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6](=O)-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C29H44O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-23,32H,7-14,16H2,1-6H3/t18-,19+,20-,21+,22+,23+,27+,28+,29+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP by pNPP hydrolase assay |
Bioorg Med Chem 18: 3934-9 (2010)
Article DOI: 10.1016/j.bmc.2010.04.073
BindingDB Entry DOI: 10.7270/Q21C1X25 |
More data for this
Ligand-Target Pair | |
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