Found 564 hits with Last Name = 'hajduk' and Initial = 'pj' 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)) | BDBM50131550
((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/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
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against protein-tyrosine phosphatase 1B (PTP 1B) was determined |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | 3D Structure (docked) |
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory constant of the compound was determined against Protein-tyrosine phosphatase 1B (PTB1B) |
J Med Chem 46: 4232-5 (2003)
Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264 |
More data for this Ligand-Target Pair | |
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13954
(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)Show SMILES CC(=O)N[C@@H](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O |r| Show InChI InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)/t32-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 22 | -43.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
J Am Chem Soc 125: 4087-96 (2003)
Article DOI: 10.1021/ja0296733 BindingDB Entry DOI: 10.7270/Q2B856CS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank MMDB PDB Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor-type tyrosine-protein phosphatase alpha
(Homo sapiens (Human)) | BDBM50131550
((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory constant against T cell protein tyrosine phosphatase |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50131547
(2-(N-(4-(2-acetamido-3-(4-(5-chloro-3-hydroxy-2-(m...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cc(Cl)cc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H36ClN3O11/c1-4-21-15-20(11-12-25(21)38(31(42)33(45)46)26-10-6-5-9-23(26)32(43)44)16-24(37-19(2)39)30(41)36-13-7-8-14-49-28-18-22(35)17-27(40)29(28)34(47)48-3/h5-6,9-12,15,17-18,24,40H,4,7-8,13-14,16H2,1-3H3,(H,36,41)(H,37,39)(H,43,44)(H,45,46) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329390
(4'-(5-(1-(4-tert-butylphenyl)-1-hydroxy-3-(pyrroli...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)(CCN1CCCC1)c1ccc(Cl)c(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C38H42ClNO4/c1-37(2,3)31-12-14-32(15-13-31)38(43,21-24-40-22-4-5-23-40)33-16-19-35(39)30(26-33)20-25-44-34-17-10-28(11-18-34)27-6-8-29(9-7-27)36(41)42/h6-19,26,43H,4-5,20-25H2,1-3H3,(H,41,42) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033 BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50131555
(2-(4-(2-acetamido-3-(4-(1-carboxy-N-(2-carboxyphen...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C33H35N3O11/c1-3-21-17-20(13-14-24(21)36(30(40)33(45)46)25-10-5-4-9-22(25)31(41)42)18-23(35-19(2)37)29(39)34-15-6-7-16-47-27-12-8-11-26(38)28(27)32(43)44/h4-5,8-14,17,23,38H,3,6-7,15-16,18H2,1-2H3,(H,34,39)(H,35,37)(H,41,42)(H,43,44)(H,45,46) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13954
(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)Show SMILES CC(=O)N[C@@H](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O |r| Show InChI InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)/t32-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 49 | -41.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
J Am Chem Soc 125: 4087-96 (2003)
Article DOI: 10.1021/ja0296733 BindingDB Entry DOI: 10.7270/Q2B856CS |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81731
(HSP90 Inhibitor, 5)Show InChI InChI=1S/C10H6Cl3N3/c11-5-1-2-6(7(12)3-5)8-4-9(13)16-10(14)15-8/h1-4H,(H2,14,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| 60 | -41.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase alpha
(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
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory constant of compound against T cell protein tyrosine phosphatase was determined |
J Med Chem 46: 4232-5 (2003)
Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase alpha
(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
UniProtKB/SwissProt
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory constant against T cell protein tyrosine phosphatase |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase alpha
(Homo sapiens (Human)) | BDBM50131555
(2-(4-(2-acetamido-3-(4-(1-carboxy-N-(2-carboxyphen...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C33H35N3O11/c1-3-21-17-20(13-14-24(21)36(30(40)33(45)46)25-10-5-4-9-22(25)31(41)42)18-23(35-19(2)37)29(39)34-15-6-7-16-47-27-12-8-11-26(38)28(27)32(43)44/h4-5,8-14,17,23,38H,3,6-7,15-16,18H2,1-2H3,(H,34,39)(H,35,37)(H,41,42)(H,43,44)(H,45,46) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory constant against T cell protein tyrosine phosphatase |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 76 | -40.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM15819
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against protein-tyrosine phosphatase 1B (PTP 1B) was determined |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327186
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES CCN(CC)CCNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H40N6O2/c1-7-37(8-2)19-18-33-30(39)26-20-24(17-16-22(26)3)38-29(21-28(36-38)32(4,5)6)35-31(40)34-27-15-11-13-23-12-9-10-14-25(23)27/h9-17,20-21H,7-8,18-19H2,1-6H3,(H,33,39)(H2,34,35,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327185
(CHEMBL1256034 | N-(3-aminopropyl)-5-(3-tert-butyl-...)Show SMILES Cc1ccc(cc1C(=O)N(CCCN)C1CCCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C35H44N6O2/c1-24-18-19-27(22-29(24)33(42)40(21-11-20-36)26-14-6-5-7-15-26)41-32(23-31(39-41)35(2,3)4)38-34(43)37-30-17-10-13-25-12-8-9-16-28(25)30/h8-10,12-13,16-19,22-23,26H,5-7,11,14-15,20-21,36H2,1-4H3,(H2,37,38,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327187
(1-{5-tert-Butyl-2-[3-(1,1,3-trioxo-1lambda*6*-[1,2...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CN2C(O)=CNS2(=O)=O)c1 |c:30| Show InChI InChI=1S/C23H25ClN6O4S/c1-23(2,3)19-12-20(27-22(32)26-17-9-7-16(24)8-10-17)30(28-19)18-6-4-5-15(11-18)14-29-21(31)13-25-35(29,33)34/h4-13,25,31H,14H2,1-3H3,(H2,26,27,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329389
(4'-(5-(1-(4-tert-butylphenyl)-1-hydroxy-3-morpholi...)Show SMILES CC(C)(C)c1ccc(cc1)C(O)(CCN1CCOCC1)c1ccc(Cl)c(CCOc2ccc(cc2)-c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C38H42ClNO5/c1-37(2,3)31-10-12-32(13-11-31)38(43,19-20-40-21-24-44-25-22-40)33-14-17-35(39)30(26-33)18-23-45-34-15-8-28(9-16-34)27-4-6-29(7-5-27)36(41)42/h4-17,26,43H,18-25H2,1-3H3,(H,41,42) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033 BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327184
(5-[3-tert-Butyl-5-(3-naphthalen-1-yl-ureido)-pyraz...)Show SMILES Cc1ccc(cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C30H33N5O5S/c1-18-12-13-20(14-22(18)28(37)31-24-16-41(39,40)17-25(24)36)35-27(15-26(34-35)30(2,3)4)33-29(38)32-23-11-7-9-19-8-5-6-10-21(19)23/h5-15,24-25,36H,16-17H2,1-4H3,(H,31,37)(H2,32,33,38)/t24-,25-/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
| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM15817
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCCC[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C33H42N4O10/c1-4-6-12-24(32(44)45)36-28(39)14-9-10-17-34-29(40)25(35-20(3)38)19-21-15-16-26(22(5-2)18-21)37(30(41)33(46)47)27-13-8-7-11-23(27)31(42)43/h7-8,11,13,15-16,18,24-25H,4-6,9-10,12,14,17,19H2,1-3H3,(H,34,40)(H,35,38)(H,36,39)(H,42,43)(H,44,45)(H,46,47)/t24-,25?/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | -39.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Receptor-type tyrosine-protein phosphatase alpha
(Homo sapiens (Human)) | BDBM50131553
(2-[(4-{2-Acetylamino-2-[4-(3-hydroxy-2-nitro-pheno...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C32H34N4O11/c1-3-21-17-20(13-14-24(21)35(30(40)32(43)44)25-10-5-4-9-22(25)31(41)42)18-23(34-19(2)37)29(39)33-15-6-7-16-47-27-12-8-11-26(38)28(27)36(45)46/h4-5,8-14,17,23,38H,3,6-7,15-16,18H2,1-2H3,(H,33,39)(H,34,37)(H,41,42)(H,43,44) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory constant against T cell protein tyrosine phosphatase |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50131545
((S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hyd...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C34H35N3O12/c1-3-18-49-34(46)36-24(29(39)35-17-6-7-19-48-27-12-8-11-26(38)28(27)33(45)47-2)20-21-13-15-22(16-14-21)37(30(40)32(43)44)25-10-5-4-9-23(25)31(41)42/h3-5,8-16,24,38H,1,6-7,17-20H2,2H3,(H,35,39)(H,36,46)(H,41,42)(H,43,44)/t24-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50131553
(2-[(4-{2-Acetylamino-2-[4-(3-hydroxy-2-nitro-pheno...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C32H34N4O11/c1-3-21-17-20(13-14-24(21)35(30(40)32(43)44)25-10-5-4-9-22(25)31(41)42)18-23(34-19(2)37)29(39)33-15-6-7-16-47-27-12-8-11-26(38)28(27)36(45)46/h4-5,8-14,17,23,38H,3,6-7,15-16,18H2,1-2H3,(H,33,39)(H,34,37)(H,41,42)(H,43,44) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM15818
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCSCC[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C33H42N4O10S/c1-4-22-18-21(13-14-26(22)37(30(41)33(46)47)27-11-7-6-10-23(27)31(42)43)19-25(35-20(3)38)29(40)34-16-9-8-12-28(39)36-24(32(44)45)15-17-48-5-2/h6-7,10-11,13-14,18,24-25H,4-5,8-9,12,15-17,19H2,1-3H3,(H,34,40)(H,35,38)(H,36,39)(H,42,43)(H,44,45)(H,46,47)/t24-,25?/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 130 | -38.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM15812
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccccc2)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C36H40N4O10/c1-3-25-19-24(16-17-29(25)40(33(44)36(49)50)30-14-8-7-13-26(30)34(45)46)21-27(38-22(2)41)32(43)37-18-10-9-15-31(42)39-28(35(47)48)20-23-11-5-4-6-12-23/h4-8,11-14,16-17,19,27-28H,3,9-10,15,18,20-21H2,1-2H3,(H,37,43)(H,38,41)(H,39,42)(H,45,46)(H,47,48)(H,49,50)/t27?,28-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 140 | -38.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327183
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES CN1CCN(CCNC(=O)c2cc(ccc2C)-n2nc(cc2NC(=O)Nc2cccc3ccccc23)C(C)(C)C)CC1 Show InChI InChI=1S/C33H41N7O2/c1-23-13-14-25(21-27(23)31(41)34-15-16-39-19-17-38(5)18-20-39)40-30(22-29(37-40)33(2,3)4)36-32(42)35-28-12-8-10-24-9-6-7-11-26(24)28/h6-14,21-22H,15-20H2,1-5H3,(H,34,41)(H2,35,36,42) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327182
(CHEMBL1257691 | N-(2-aminoethyl)-5-(3-tert-butyl-5...)Show SMILES CCN(CCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C30H36N6O2/c1-6-35(17-16-31)28(37)24-18-22(15-14-20(24)2)36-27(19-26(34-36)30(3,4)5)33-29(38)32-25-13-9-11-21-10-7-8-12-23(21)25/h7-15,18-19H,6,16-17,31H2,1-5H3,(H2,32,33,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13975
(2-({2-[(1E)-2-carbamoyleth-1-en-1-yl]-4-[(2S)-2-me...)Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(\C=C\C(N)=O)c1)NS(C)(=O)=O |r| Show InChI InChI=1S/C27H32N4O9S/c1-3-4-7-14-29-24(33)20(30-41(2,39)40)16-17-10-12-21(18(15-17)11-13-23(28)32)31(25(34)27(37)38)22-9-6-5-8-19(22)26(35)36/h5-6,8-13,15,20,30H,3-4,7,14,16H2,1-2H3,(H2,28,32)(H,29,33)(H,35,36)(H,37,38)/b13-11+/t20-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
J Med Chem 46: 2093-103 (2003)
Article DOI: 10.1021/jm0205696 BindingDB Entry DOI: 10.7270/Q26H4FPH |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM15812
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccccc2)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C36H40N4O10/c1-3-25-19-24(16-17-29(25)40(33(44)36(49)50)30-14-8-7-13-26(30)34(45)46)21-27(38-22(2)41)32(43)37-18-10-9-15-31(42)39-28(35(47)48)20-23-11-5-4-6-12-23/h4-8,11-14,16-17,19,27-28H,3,9-10,15,18,20-21H2,1-2H3,(H,37,43)(H,38,41)(H,39,42)(H,45,46)(H,47,48)(H,49,50)/t27?,28-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM13975
(2-({2-[(1E)-2-carbamoyleth-1-en-1-yl]-4-[(2S)-2-me...)Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(\C=C\C(N)=O)c1)NS(C)(=O)=O |r| Show InChI InChI=1S/C27H32N4O9S/c1-3-4-7-14-29-24(33)20(30-41(2,39)40)16-17-10-12-21(18(15-17)11-13-23(28)32)31(25(34)27(37)38)22-9-6-5-8-19(22)26(35)36/h5-6,8-13,15,20,30H,3-4,7,14,16H2,1-2H3,(H2,28,32)(H,29,33)(H,35,36)(H,37,38)/b13-11+/t20-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
J Med Chem 46: 2093-103 (2003)
Article DOI: 10.1021/jm0205696 BindingDB Entry DOI: 10.7270/Q26H4FPH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81730
(HSP90 Inhibitor, 4)Show InChI InChI=1S/C11H9Cl2N3/c1-6-4-10(16-11(14)15-6)8-3-2-7(12)5-9(8)13/h2-5H,1H3,(H2,14,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 170 | -38.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327181
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCc1ccncc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H32N6O2/c1-21-12-13-24(18-26(21)30(39)34-20-22-14-16-33-17-15-22)38-29(19-28(37-38)32(2,3)4)36-31(40)35-27-11-7-9-23-8-5-6-10-25(23)27/h5-19H,20H2,1-4H3,(H,34,39)(H2,35,36,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 176 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329388
(4'-(5-(1-(4-bromophenyl)-1-hydroxy-3-morpholinopro...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(OCCc2cc(ccc2Cl)C(O)(CCN2CCOCC2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C34H33BrClNO5/c35-30-10-7-28(8-11-30)34(40,16-17-37-18-21-41-22-19-37)29-9-14-32(36)27(23-29)15-20-42-31-12-5-25(6-13-31)24-1-3-26(4-2-24)33(38)39/h1-14,23,40H,15-22H2,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033 BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50329386
(4'-(2-chloro-5-(1-(4-chlorophenyl)-1-hydroxy-3-mor...)Show SMILES OC(=O)c1ccc(cc1)-c1ccc(OCCc2cc(ccc2Cl)C(O)(CCN2CCOCC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C34H33Cl2NO5/c35-30-10-7-28(8-11-30)34(40,16-17-37-18-21-41-22-19-37)29-9-14-32(36)27(23-29)15-20-42-31-12-5-25(6-13-31)24-1-3-26(4-2-24)33(38)39/h1-14,23,40H,15-22H2,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Bcl-2 by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 6587-91 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.033 BindingDB Entry DOI: 10.7270/Q2J103C3 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase alpha
(Homo sapiens (Human)) | BDBM50131547
(2-(N-(4-(2-acetamido-3-(4-(5-chloro-3-hydroxy-2-(m...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cc(Cl)cc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H36ClN3O11/c1-4-21-15-20(11-12-25(21)38(31(42)33(45)46)26-10-6-5-9-23(26)32(43)44)16-24(37-19(2)39)30(41)36-13-7-8-14-49-28-18-22(35)17-27(40)29(28)34(47)48-3/h5-6,9-12,15,17-18,24,40H,4,7-8,13-14,16H2,1-3H3,(H,36,41)(H,37,39)(H,43,44)(H,45,46) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory constant against T cell protein tyrosine phosphatase |
J Med Chem 46: 3437-40 (2003)
Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM15817
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCCC[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C33H42N4O10/c1-4-6-12-24(32(44)45)36-28(39)14-9-10-17-34-29(40)25(35-20(3)38)19-21-15-16-26(22(5-2)18-21)37(30(41)33(46)47)27-13-8-7-11-23(27)31(42)43/h7-8,11,13,15-16,18,24-25H,4-6,9-10,12,14,17,19H2,1-3H3,(H,34,40)(H,35,38)(H,36,39)(H,42,43)(H,44,45)(H,46,47)/t24-,25?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM15813
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(S)-...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](C2CCCCC2)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C35H44N4O10/c1-3-23-19-22(16-17-27(23)39(32(43)35(48)49)28-14-8-7-13-25(28)33(44)45)20-26(37-21(2)40)31(42)36-18-10-9-15-29(41)38-30(34(46)47)24-11-5-4-6-12-24/h7-8,13-14,16-17,19,24,26,30H,3-6,9-12,15,18,20H2,1-2H3,(H,36,42)(H,37,40)(H,38,41)(H,44,45)(H,46,47)(H,48,49)/t26?,30-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 250 | -37.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327180
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCC#N)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C28H28N6O2/c1-18-12-13-20(16-22(18)26(35)30-15-14-29)34-25(17-24(33-34)28(2,3)4)32-27(36)31-23-11-7-9-19-8-5-6-10-21(19)23/h5-13,16-17H,15H2,1-4H3,(H,30,35)(H2,31,32,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 252 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM15815
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCC(N)=O)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H39N5O11/c1-3-20-16-19(11-13-24(20)37(29(42)32(47)48)25-9-5-4-8-21(25)30(43)44)17-23(35-18(2)38)28(41)34-15-7-6-10-27(40)36-22(31(45)46)12-14-26(33)39/h4-5,8-9,11,13,16,22-23H,3,6-7,10,12,14-15,17H2,1-2H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,40)(H,43,44)(H,45,46)(H,47,48)/t22-,23?/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327188
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCCCO)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C29H33N5O3/c1-19-13-14-21(17-23(19)27(36)30-15-8-16-35)34-26(18-25(33-34)29(2,3)4)32-28(37)31-24-12-7-10-20-9-5-6-11-22(20)24/h5-7,9-14,17-18,35H,8,15-16H2,1-4H3,(H,30,36)(H2,31,32,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 283 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM15813
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(S)-...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](C2CCCCC2)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C35H44N4O10/c1-3-23-19-22(16-17-27(23)39(32(43)35(48)49)28-14-8-7-13-25(28)33(44)45)20-26(37-21(2)40)31(42)36-18-10-9-15-29(41)38-30(34(46)47)24-11-5-4-6-12-24/h7-8,13-14,16-17,19,24,26,30H,3-6,9-12,15,18,20H2,1-2H3,(H,36,42)(H,37,40)(H,38,41)(H,44,45)(H,46,47)(H,48,49)/t26?,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327189
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCCCN1CCOCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C33H40N6O3/c1-23-13-14-25(21-27(23)31(40)34-15-8-16-38-17-19-42-20-18-38)39-30(22-29(37-39)33(2,3)4)36-32(41)35-28-12-7-10-24-9-5-6-11-26(24)28/h5-7,9-14,21-22H,8,15-20H2,1-4H3,(H,34,40)(H2,35,36,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 291 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327190
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCCCN1CCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C33H40N6O2/c1-23-15-16-25(21-27(23)31(40)34-17-10-20-38-18-7-8-19-38)39-30(22-29(37-39)33(2,3)4)36-32(41)35-28-14-9-12-24-11-5-6-13-26(24)28/h5-6,9,11-16,21-22H,7-8,10,17-20H2,1-4H3,(H,34,40)(H2,35,36,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 301 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327191
(CHEMBL1258158 | N-(3-aminopropyl)-5-(3-tert-butyl-...)Show SMILES CC(C)N(CCCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C32H40N6O2/c1-21(2)37(18-10-17-33)30(39)26-19-24(16-15-22(26)3)38-29(20-28(36-38)32(4,5)6)35-31(40)34-27-14-9-12-23-11-7-8-13-25(23)27/h7-9,11-16,19-21H,10,17-18,33H2,1-6H3,(H2,34,35,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 312 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM81729
(HSP90 Inhibitor, 1 | hsp90_125)Show InChI InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Patents
| MMDB PDB Article PubMed
| 320 | -37.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Abbott Laboratories
| Assay Description HSP90 inhibitors identified using Fluorescence resonance energy transfer assay. |
Chem Biol Drug Des 70: 1-12 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00535.x BindingDB Entry DOI: 10.7270/Q25X27DH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327192
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)Show SMILES Cc1ccc(cc1C(=O)NCc1ccncn1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H31N7O2/c1-20-12-13-23(16-25(20)29(39)33-18-22-14-15-32-19-34-22)38-28(17-27(37-38)31(2,3)4)36-30(40)35-26-11-7-9-21-8-5-6-10-24(21)26/h5-17,19H,18H2,1-4H3,(H,33,39)(H2,35,36,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay |
Bioorg Med Chem Lett 20: 5787-92 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.097 BindingDB Entry DOI: 10.7270/Q2MC907J |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1 [1-298]
(Homo sapiens (Human)) | BDBM15815
(1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...)Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCC(N)=O)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H39N5O11/c1-3-20-16-19(11-13-24(20)37(29(42)32(47)48)25-9-5-4-8-21(25)30(43)44)17-23(35-18(2)38)28(41)34-15-7-6-10-27(40)36-22(31(45)46)12-14-26(33)39/h4-5,8-9,11,13,16,22-23H,3,6-7,10,12,14-15,17H2,1-2H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,40)(H,43,44)(H,45,46)(H,47,48)/t22-,23?/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 330 | -36.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories
| Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15... |
Bioorg Med Chem Lett 13: 1887-90 (2003)
Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91 |
More data for this Ligand-Target Pair | 3D Structure (docked) |