Found 145 hits with Last Name = 'srinivasan' and Initial = 'cv' 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)) | BDBM13976
(Aminobenzoic acid analog 5 | CHEMBL116605)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326165
(CHEMBL1241315 | oxalylaminobenzoic acid)Show SMILES CCc1cc(C[C@H]2NC(=O)CN(CCCCOc3cccc(O)c3C(=O)OC)C2=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C34H35N3O11/c1-3-21-17-20(13-14-24(21)37(31(41)33(44)45)25-10-5-4-9-22(25)32(42)43)18-23-30(40)36(19-28(39)35-23)15-6-7-16-48-27-12-8-11-26(38)29(27)34(46)47-2/h4-5,8-14,17,23,38H,3,6-7,15-16,18-19H2,1-2H3,(H,35,39)(H,42,43)(H,44,45)/t23-/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
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13976
(Aminobenzoic acid analog 5 | CHEMBL116605)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50326165
(CHEMBL1241315 | oxalylaminobenzoic acid)Show SMILES CCc1cc(C[C@H]2NC(=O)CN(CCCCOc3cccc(O)c3C(=O)OC)C2=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C34H35N3O11/c1-3-21-17-20(13-14-24(21)37(31(41)33(44)45)25-10-5-4-9-22(25)32(42)43)18-23-30(40)36(19-28(39)35-23)15-6-7-16-48-27-12-8-11-26(38)29(27)34(46)47-2/h4-5,8-14,17,23,38H,3,6-7,15-16,18-19H2,1-2H3,(H,35,39)(H,42,43)(H,44,45)/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TCPTP after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50296368
(7-(biphenyl-4-yl)-4-oxo-4H-chromene-3-carbaldehyde...)Show InChI InChI=1S/C22H14O3/c23-13-19-14-25-21-12-18(10-11-20(21)22(19)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296368
(7-(biphenyl-4-yl)-4-oxo-4H-chromene-3-carbaldehyde...)Show InChI InChI=1S/C22H14O3/c23-13-19-14-25-21-12-18(10-11-20(21)22(19)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50133280
(5-(3-(3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H17NO7/c1-27-21(26)19-16(23)8-3-9-17(19)28-10-4-6-13-5-2-7-14(11-13)18-12-15(20(24)25)22-29-18/h2-9,11-12,23H,10H2,1H3,(H,24,25)/b6-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50133280
(5-(3-(3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H17NO7/c1-27-21(26)19-16(23)8-3-9-17(19)28-10-4-6-13-5-2-7-14(11-13)18-12-15(20(24)25)22-29-18/h2-9,11-12,23H,10H2,1H3,(H,24,25)/b6-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296368
(7-(biphenyl-4-yl)-4-oxo-4H-chromene-3-carbaldehyde...)Show InChI InChI=1S/C22H14O3/c23-13-19-14-25-21-12-18(10-11-20(21)22(19)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50296368
(7-(biphenyl-4-yl)-4-oxo-4H-chromene-3-carbaldehyde...)Show InChI InChI=1S/C22H14O3/c23-13-19-14-25-21-12-18(10-11-20(21)22(19)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TCPTP after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50133280
(5-(3-(3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H17NO7/c1-27-21(26)19-16(23)8-3-9-17(19)28-10-4-6-13-5-2-7-14(11-13)18-12-15(20(24)25)22-29-18/h2-9,11-12,23H,10H2,1H3,(H,24,25)/b6-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TCPTP after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50133280
(5-(3-(3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H17NO7/c1-27-21(26)19-16(23)8-3-9-17(19)28-10-4-6-13-5-2-7-14(11-13)18-12-15(20(24)25)22-29-18/h2-9,11-12,23H,10H2,1H3,(H,24,25)/b6-4+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50558593
(CHEMBL4747406)Show SMILES Cc1sc(nc1C(=O)NC1CCC(O)CC1)-c1ccc(OC(F)F)c2oc3ccc(NS(C)(=O)=O)cc3c12 |(50.66,-6.46,;51.56,-7.7,;51.09,-9.17,;52.35,-10.07,;53.59,-9.16,;53.11,-7.69,;54.01,-6.45,;53.38,-5.04,;55.54,-6.61,;56.44,-5.36,;55.81,-3.96,;56.72,-2.71,;58.25,-2.87,;59.15,-1.62,;58.87,-4.27,;57.97,-5.52,;52.36,-11.61,;51.02,-12.39,;51.02,-13.94,;52.36,-14.71,;52.37,-16.26,;51.04,-17.03,;51.04,-18.57,;49.7,-16.26,;53.69,-13.93,;55.17,-14.41,;56.08,-13.15,;57.61,-12.99,;58.23,-11.58,;57.32,-10.33,;57.94,-8.92,;59.46,-8.75,;60.08,-7.35,;60.95,-9.15,;59.86,-10.24,;55.79,-10.5,;55.17,-11.91,;53.69,-12.38,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50558594
(CHEMBL4744412)Show SMILES CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(cs4)C(=O)NC4CCC(O)CC4)c3c2c1 |(15.21,-7.74,;14.59,-9.14,;16.07,-9.54,;14.98,-10.62,;13.06,-9.31,;12.44,-10.72,;13.35,-11.96,;12.73,-13.37,;11.2,-13.54,;10.29,-14.79,;8.82,-14.32,;7.49,-15.1,;7.49,-16.64,;6.16,-17.41,;6.16,-18.95,;4.83,-16.65,;6.15,-14.33,;6.15,-12.78,;7.48,-12,;7.47,-10.46,;8.71,-9.55,;8.23,-8.08,;6.69,-8.09,;6.22,-9.56,;9.14,-6.84,;8.51,-5.43,;10.67,-6.99,;11.57,-5.75,;10.94,-4.34,;11.84,-3.1,;13.37,-3.25,;14.27,-2.01,;14,-4.66,;13.1,-5.9,;8.82,-12.77,;10.29,-12.29,;10.91,-10.89,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326165
(CHEMBL1241315 | oxalylaminobenzoic acid)Show SMILES CCc1cc(C[C@H]2NC(=O)CN(CCCCOc3cccc(O)c3C(=O)OC)C2=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C34H35N3O11/c1-3-21-17-20(13-14-24(21)37(31(41)33(44)45)25-10-5-4-9-22(25)32(42)43)18-23-30(40)36(19-28(39)35-23)15-6-7-16-48-27-12-8-11-26(38)29(27)34(46)47-2/h4-5,8-14,17,23,38H,3,6-7,15-16,18-19H2,1-2H3,(H,35,39)(H,42,43)(H,44,45)/t23-/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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50558595
(CHEMBL4764245)Show SMILES CC(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(cs4)C(=O)NC4CCC(O)CC4)c3c2c1 |(67.92,-47.27,;67.3,-48.68,;68.21,-49.92,;65.78,-48.84,;65.16,-50.25,;66.07,-51.5,;65.45,-52.91,;63.91,-53.07,;63,-54.33,;61.53,-53.85,;60.2,-54.63,;60.2,-56.17,;58.87,-56.95,;58.88,-58.49,;57.54,-56.18,;58.86,-53.86,;58.86,-52.31,;60.2,-51.53,;60.19,-49.99,;61.43,-49.08,;60.95,-47.61,;59.4,-47.62,;58.93,-49.09,;61.85,-46.37,;61.22,-44.96,;63.38,-46.53,;64.28,-45.28,;63.65,-43.88,;64.55,-42.63,;66.08,-42.79,;66.99,-41.54,;66.71,-44.19,;65.81,-45.44,;61.53,-52.3,;63,-51.83,;63.63,-50.42,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50558598
(CHEMBL4756900)Show SMILES COc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)c(C)s2)c2c3ccccc3oc12 |(44.37,-16.57,;43.04,-15.79,;43.03,-14.25,;41.69,-13.48,;41.7,-11.93,;43.03,-11.15,;43.02,-9.61,;44.26,-8.7,;43.78,-7.24,;44.68,-5.99,;44.05,-4.59,;46.21,-6.15,;47.11,-4.9,;46.49,-3.5,;47.39,-2.25,;48.92,-2.41,;49.82,-1.16,;49.55,-3.81,;48.64,-5.06,;42.24,-7.24,;41.33,-6,;41.77,-8.71,;44.36,-11.92,;45.84,-11.45,;46.46,-10.04,;47.99,-9.87,;48.9,-11.12,;48.28,-12.53,;46.75,-12.69,;45.84,-13.95,;44.36,-13.47,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50558600
(CHEMBL4744894)Show SMILES COc1ccc(-c2nc(cs2)C(=O)Nc2c(Cl)cncc2Cl)c2c3ccccc3oc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50558599
(CHEMBL4799096)Show SMILES COc1ccc(-c2nc(cs2)C(=O)NC2CCC(O)CC2)c2c3ccccc3oc12 |(61.11,-56.78,;59.77,-56.01,;59.77,-54.47,;58.43,-53.7,;58.43,-52.15,;59.77,-51.37,;59.76,-49.84,;61,-48.93,;60.52,-47.46,;58.97,-47.47,;58.5,-48.94,;61.42,-46.21,;60.79,-44.8,;62.96,-46.36,;63.86,-45.12,;63.23,-43.72,;64.13,-42.47,;65.66,-42.63,;66.56,-41.38,;66.29,-44.03,;65.39,-45.27,;61.1,-52.14,;62.57,-51.66,;63.19,-50.26,;64.72,-50.09,;65.63,-51.34,;65.01,-52.75,;63.48,-52.91,;62.57,-54.17,;61.1,-53.69,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296382
((3S)-7-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxamid...)Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2CO1 |r| Show InChI InChI=1S/C18H23NO4S2/c20-17(4-2-1-3-15-7-8-24-25-15)19-14-6-5-12-10-16(18(21)22)23-11-13(12)9-14/h5-6,9,15-16H,1-4,7-8,10-11H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296382
((3S)-7-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxamid...)Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2CO1 |r| Show InChI InChI=1S/C18H23NO4S2/c20-17(4-2-1-3-15-7-8-24-25-15)19-14-6-5-12-10-16(18(21)22)23-11-13(12)9-14/h5-6,9,15-16H,1-4,7-8,10-11H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50558596
(CHEMBL4791975)Show SMILES OC1CCC(CC1)NC(=O)c1csc(n1)-c1ccc(OC(F)F)c2oc3ccccc3c12 |(67.36,-20.14,;66.46,-21.38,;64.93,-21.23,;64.03,-22.47,;64.66,-23.87,;66.19,-24.03,;67.09,-22.79,;63.76,-25.12,;62.23,-24.96,;61.6,-23.56,;61.33,-26.21,;59.78,-26.21,;59.31,-27.69,;60.57,-28.59,;61.81,-27.68,;60.58,-30.13,;59.24,-30.9,;59.24,-32.45,;60.58,-33.22,;60.58,-34.77,;59.25,-35.54,;59.26,-37.08,;57.92,-34.78,;61.91,-32.45,;63.38,-32.92,;64.29,-31.66,;65.82,-31.5,;66.45,-30.09,;65.54,-28.85,;64.01,-29.02,;63.38,-30.42,;61.91,-30.9,)| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50248919
((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)Show SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O |r| Show InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296381
((3S)-6-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxamid...)Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc2CO1 |r| Show InChI InChI=1S/C18H23NO4S2/c20-17(4-2-1-3-15-7-8-24-25-15)19-14-6-5-12-11-23-16(18(21)22)10-13(12)9-14/h5-6,9,15-16H,1-4,7-8,10-11H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326155
(8-{2-[4-(Pyrrolidin-1-yl)phenyl]thiazol-4-yl}diben...)Show SMILES OC(=O)c1cccc2c3cc(ccc3oc12)-c1csc(n1)-c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C26H20N2O3S/c29-26(30)20-5-3-4-19-21-14-17(8-11-23(21)31-24(19)20)22-15-32-25(27-22)16-6-9-18(10-7-16)28-12-1-2-13-28/h3-11,14-15H,1-2,12-13H2,(H,29,30) | 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 | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296380
((3S)-7-[4-(1,2-Dithiolan-3-yl)butylcarboxamido]-is...)Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCCC3CCSS3)cc2CO1 |r| Show InChI InChI=1S/C18H23NO4S2/c20-17(4-2-1-3-15-7-8-24-25-15)19-14-6-5-12-10-16(18(21)22)23-11-13(12)9-14/h5-6,9,15-16H,1-4,7-8,10-11H2,(H,19,20)(H,21,22)/t15?,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296379
((3S)-6-[4-(1,2-Dithiolan-3-yl)butylcarboxamido]-is...)Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCCCC3CCSS3)ccc2CO1 |r| Show InChI InChI=1S/C18H23NO4S2/c20-17(4-2-1-3-15-7-8-24-25-15)19-14-6-5-12-11-23-16(18(21)22)10-13(12)9-14/h5-6,9,15-16H,1-4,7-8,10-11H2,(H,19,20)(H,21,22)/t15?,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296391
((2S)-3-(4-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxa...)Show SMILES CCO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O |r| Show InChI InChI=1S/C19H27NO4S2/c1-2-24-17(19(22)23)13-14-7-9-15(10-8-14)20-18(21)6-4-3-5-16-11-12-25-26-16/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,21)(H,22,23)/t16-,17+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296386
((3S)-7-{4-[(4R)-1,3-Dithian-4-yl]butylcarboxamido}...)Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSCS3)cc2CO1 |r| Show InChI InChI=1S/C19H25NO4S2/c21-18(4-2-1-3-16-7-8-25-12-26-16)20-15-6-5-13-10-17(19(22)23)24-11-14(13)9-15/h5-6,9,16-17H,1-4,7-8,10-12H2,(H,20,21)(H,22,23)/t16-,17+/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 | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326156
(8-{2-[4-(Piperidin-1-yl)phenyl]thiazol-4-yl}dibenz...)Show SMILES OC(=O)c1cccc2c3cc(ccc3oc12)-c1csc(n1)-c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C27H22N2O3S/c30-27(31)21-6-4-5-20-22-15-18(9-12-24(22)32-25(20)21)23-16-33-26(28-23)17-7-10-19(11-8-17)29-13-2-1-3-14-29/h4-12,15-16H,1-3,13-14H2,(H,30,31) | 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 | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50558597
(CHEMBL4787884)Show SMILES FC(F)Oc1ccc(-c2nc(cs2)C(=O)Nc2c(Cl)cncc2Cl)c2c3ccccc3oc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.09.011
BindingDB Entry DOI: 10.7270/Q2N58R28 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296376
((3S)-7-[4-(2,2-Dimethyl-1,3-dithiolan-4-yl)butylca...)Show SMILES CC1(C)SCC(CCCCC(=O)Nc2ccc3C[C@H](OCc3c2)C(O)=O)S1 |r| Show InChI InChI=1S/C20H27NO4S2/c1-20(2)26-12-16(27-20)5-3-4-6-18(22)21-15-8-7-13-10-17(19(23)24)25-11-14(13)9-15/h7-9,16-17H,3-6,10-12H2,1-2H3,(H,21,22)(H,23,24)/t16?,17-/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 | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50326165
(CHEMBL1241315 | oxalylaminobenzoic acid)Show SMILES CCc1cc(C[C@H]2NC(=O)CN(CCCCOc3cccc(O)c3C(=O)OC)C2=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C34H35N3O11/c1-3-21-17-20(13-14-24(21)37(31(41)33(44)45)25-10-5-4-9-22(25)32(42)43)18-23-30(40)36(19-28(39)35-23)15-6-7-16-48-27-12-8-11-26(38)29(27)34(46)47-2/h4-5,8-14,17,23,38H,3,6-7,15-16,18-19H2,1-2H3,(H,35,39)(H,42,43)(H,44,45)/t23-/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 | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TCPTP after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296390
((2S)-3-(4-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxa...)Show SMILES CO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O |r| Show InChI InChI=1S/C18H25NO4S2/c1-23-16(18(21)22)12-13-6-8-14(9-7-13)19-17(20)5-3-2-4-15-10-11-24-25-15/h6-9,15-16H,2-5,10-12H2,1H3,(H,19,20)(H,21,22)/t15-,16+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296375
((3S)-6-[4-(2,2-Dimethyl-1,3-dithiolan-4-yl)butylca...)Show SMILES CC1(C)SCC(CCCCC(=O)Nc2ccc3CO[C@@H](Cc3c2)C(O)=O)S1 |r| Show InChI InChI=1S/C20H27NO4S2/c1-20(2)26-12-16(27-20)5-3-4-6-18(22)21-15-8-7-13-11-25-17(19(23)24)10-14(13)9-15/h7-9,16-17H,3-6,10-12H2,1-2H3,(H,21,22)(H,23,24)/t16?,17-/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 | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296385
((3S)-6-{4-[(4R)-1,3-Dithian-4-yl]butylcarboxamido}...)Show SMILES OC(=O)[C@@H]1Cc2cc(NC(=O)CCCC[C@@H]3CCSCS3)ccc2CO1 |r| Show InChI InChI=1S/C19H25NO4S2/c21-18(4-2-1-3-16-7-8-25-12-26-16)20-15-6-5-13-11-24-17(19(22)23)10-14(13)9-15/h5-6,9,16-17H,1-4,7-8,10-12H2,(H,20,21)(H,22,23)/t16-,17+/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 | 167 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326160
(8-[2-(3,5-Dibromo-4-(1-carboxy-2-phenylethoxy)phen...)Show SMILES OC(=O)[C@@H](Cc1ccccc1)C(=O)c1c(Br)cc(cc1Br)-c1nc(cs1)-c1ccc2oc3c(cccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C32H19Br2NO6S/c33-23-13-18(14-24(34)27(23)28(36)22(32(39)40)11-16-5-2-1-3-6-16)30-35-25(15-42-30)17-9-10-26-21(12-17)19-7-4-8-20(31(37)38)29(19)41-26/h1-10,12-15,22H,11H2,(H,37,38)(H,39,40)/t22-/m0/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 | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326153
(8-[2-(4-Aminophenyl)thiazol-4-yl]dibenzo[b,d]furan...)Show SMILES Nc1ccc(cc1)-c1nc(cs1)-c1ccc2oc3c(cccc3c2c1)C(O)=O Show InChI InChI=1S/C22H14N2O3S/c23-14-7-4-12(5-8-14)21-24-18(11-28-21)13-6-9-19-17(10-13)15-2-1-3-16(22(25)26)20(15)27-19/h1-11H,23H2,(H,25,26) | 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 | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326158
(8-{2-[4-(2,6-Dimethylmorpholino)phenyl]thiazol-4-y...)Show SMILES CC1CN(CC(C)O1)c1ccc(cc1)-c1nc(cs1)-c1ccc2oc3c(cccc3c2c1)C(O)=O Show InChI InChI=1S/C28H24N2O4S/c1-16-13-30(14-17(2)33-16)20-9-6-18(7-10-20)27-29-24(15-35-27)19-8-11-25-23(12-19)21-4-3-5-22(28(31)32)26(21)34-25/h3-12,15-17H,13-14H2,1-2H3,(H,31,32) | 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 | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326152
(8-[2-(4-Nitrophenyl)thiazol-4-yl]dibenzo[b,d]furan...)Show SMILES OC(=O)c1cccc2c3cc(ccc3oc12)-c1csc(n1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H12N2O5S/c25-22(26)16-3-1-2-15-17-10-13(6-9-19(17)29-20(15)16)18-11-30-21(23-18)12-4-7-14(8-5-12)24(27)28/h1-11H,(H,25,26) | 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 | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326154
(8-{2-[4-(Dimethylamino)phenyl]thiazol-4-yl}dibenzo...)Show SMILES CN(C)c1ccc(cc1)-c1nc(cs1)-c1ccc2oc3c(cccc3c2c1)C(O)=O Show InChI InChI=1S/C24H18N2O3S/c1-26(2)16-9-6-14(7-10-16)23-25-20(13-30-23)15-8-11-21-19(12-15)17-4-3-5-18(24(27)28)22(17)29-21/h3-13H,1-2H3,(H,27,28) | 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 | 257 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326157
(8-[2-(4-Morpholinophenyl)thiazol-4-yl]dibenzo[b,d]...)Show SMILES OC(=O)c1cccc2c3cc(ccc3oc12)-c1csc(n1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C26H20N2O4S/c29-26(30)20-3-1-2-19-21-14-17(6-9-23(21)32-24(19)20)22-15-33-25(27-22)16-4-7-18(8-5-16)28-10-12-31-13-11-28/h1-9,14-15H,10-13H2,(H,29,30) | 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 | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296389
((3S)-7-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxamid...)Show SMILES OC(=O)[C@@H]1Cc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2C(=O)O1 |r| Show InChI InChI=1S/C18H21NO5S2/c20-16(4-2-1-3-13-7-8-25-26-13)19-12-6-5-11-9-15(17(21)22)24-18(23)14(11)10-12/h5-6,10,13,15H,1-4,7-9H2,(H,19,20)(H,21,22)/t13-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 304 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50296376
((3S)-7-[4-(2,2-Dimethyl-1,3-dithiolan-4-yl)butylca...)Show SMILES CC1(C)SCC(CCCCC(=O)Nc2ccc3C[C@H](OCc3c2)C(O)=O)S1 |r| Show InChI InChI=1S/C20H27NO4S2/c1-20(2)26-12-16(27-20)5-3-4-6-18(22)21-15-8-7-13-10-17(19(23)24)25-11-14(13)9-15/h7-9,16-17H,3-6,10-12H2,1-2H3,(H,21,22)(H,23,24)/t16?,17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 321 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50296375
((3S)-6-[4-(2,2-Dimethyl-1,3-dithiolan-4-yl)butylca...)Show SMILES CC1(C)SCC(CCCCC(=O)Nc2ccc3CO[C@@H](Cc3c2)C(O)=O)S1 |r| Show InChI InChI=1S/C20H27NO4S2/c1-20(2)26-12-16(27-20)5-3-4-6-18(22)21-15-8-7-13-11-25-17(19(23)24)10-14(13)9-15/h7-9,16-17H,3-6,10-12H2,1-2H3,(H,21,22)(H,23,24)/t16?,17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 323 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50326152
(8-[2-(4-Nitrophenyl)thiazol-4-yl]dibenzo[b,d]furan...)Show SMILES OC(=O)c1cccc2c3cc(ccc3oc12)-c1csc(n1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C22H12N2O5S/c25-22(26)16-3-1-2-15-17-10-13(6-9-19(17)29-20(15)16)18-11-30-21(23-18)12-4-7-14(8-5-12)24(27)28/h1-11H,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 348 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant TCPTP after 30 mins by spectrophotometry |
Eur J Med Chem 45: 3709-18 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296374
((3S)-7-[2-(2,2-Dimethyl-1,3-dithiolan-4-yl)ethylca...)Show SMILES CC1(C)SCC(CCC(=O)Nc2ccc3C[C@H](OCc3c2)C(O)=O)S1 |r| Show InChI InChI=1S/C18H23NO4S2/c1-18(2)24-10-14(25-18)5-6-16(20)19-13-4-3-11-8-15(17(21)22)23-9-12(11)7-13/h3-4,7,14-15H,5-6,8-10H2,1-2H3,(H,19,20)(H,21,22)/t14?,15-/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 | 354 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296393
((2S)-2-Butoxy-3-(4-{4-[(3R)-1,2-dithiolan-3-yl]but...)Show SMILES CCCCO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O |r| Show InChI InChI=1S/C21H31NO4S2/c1-2-3-13-26-19(21(24)25)15-16-8-10-17(11-9-16)22-20(23)7-5-4-6-18-12-14-27-28-18/h8-11,18-19H,2-7,12-15H2,1H3,(H,22,23)(H,24,25)/t18-,19+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 358 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50296392
((2S)-3-(4-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxa...)Show SMILES CCCO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H29NO4S2/c1-2-12-25-18(20(23)24)14-15-7-9-16(10-8-15)21-19(22)6-4-3-5-17-11-13-26-27-17/h7-10,17-18H,2-6,11-14H2,1H3,(H,21,22)(H,23,24)/t17-,18+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 374 | n/a | n/a | n/a | n/a | n/a | n/a |
Glenmark Research Center
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Eur J Med Chem 44: 3147-57 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.009
BindingDB Entry DOI: 10.7270/Q2FJ2GTG |
More data for this
Ligand-Target Pair | |
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