Found 120 hits with Last Name = 'fesatidou' and Initial = 'm' 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)) | BDBM13997
(5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1CO Show InChI InChI=1S/C22H19NO8/c1-29-22(28)18-16(25)8-3-9-17(18)30-10-4-6-13-5-2-7-14(11-13)20-15(12-24)19(21(26)27)23-31-20/h2-9,11,24-25H,10,12H2,1H3,(H,26,27)/b6-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13996
(4-amino-5-{3-[(1E)-3-[3-hydroxy-2-(methoxycarbonyl...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1N Show InChI InChI=1S/C21H18N2O7/c1-28-21(27)16-14(24)8-3-9-15(16)29-10-4-6-12-5-2-7-13(11-12)19-17(22)18(20(25)26)23-30-19/h2-9,11,24H,10,22H2,1H3,(H,25,26)/b6-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612100
(CHEMBL5279725)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| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13990
(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50087883
(CHEMBL3426930)Show SMILES CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C39H56F4N4O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-33(48)45-31(24-27-17-21-29(22-18-27)39(42,43)61(57,58)59)36(52)47-32(25-34(49)50)37(53)46-30(35(44)51)23-26-15-19-28(20-16-26)38(40,41)60(54,55)56/h15-22,30-32H,2-14,23-25H2,1H3,(H2,44,51)(H,45,48)(H,46,53)(H,47,52)(H,49,50)(H2,54,55,56)(H2,57,58,59)/t30-,31-,32-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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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
| | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50612075
(CHEMBL5288197)Show SMILES OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(C#N)c(c1)[N+]([O-])=O | PDB
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| PC cid
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| PDB
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13611
(2-(carboxymethoxy)-5-[(2S)-2-[(2S)-2-(3-formamidop...)Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O |r| Show InChI InChI=1S/C30H37N3O10/c1-2-3-7-14-31-28(39)22(17-20-10-11-24(43-18-27(37)38)21(15-20)30(41)42)33-29(40)23(16-19-8-5-4-6-9-19)32-25(34)12-13-26(35)36/h4-6,8-11,15,22-23H,2-3,7,12-14,16-18H2,1H3,(H,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)(H,41,42)/t22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50118750
(2-(Oxalyl-amino)-6-phenethyl-4,5,6,7-tetrahydro-th...)Show SMILES OC(=O)C(=O)Nc1sc2CN(CCc3ccccc3)CCc2c1C(O)=O Show InChI InChI=1S/C18H18N2O5S/c21-15(18(24)25)19-16-14(17(22)23)12-7-9-20(10-13(12)26-16)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,21)(H,22,23)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50118792
(2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...)Show InChI InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612099
(CHEMBL5278790)Show SMILES OC(=O)C(=O)Nc1sc2CC(COC3=NS(=O)(=O)c4ccccc34)OCc2c1C(O)=O |t:13| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612085
(CHEMBL5269879)Show SMILES OC(=O)c1ccc(CCNC(=O)c2cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13609
(2-{4-[(2S)-2-[(2S)-2-(3-formamidopropanoic acid)-3...)Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O |r| Show InChI InChI=1S/C30H37N3O10/c1-2-3-7-16-31-27(37)22(18-20-10-12-21(13-11-20)43-26(29(39)40)30(41)42)33-28(38)23(17-19-8-5-4-6-9-19)32-24(34)14-15-25(35)36/h4-6,8-13,22-23,26H,2-3,7,14-18H2,1H3,(H,31,37)(H,32,34)(H,33,38)(H,35,36)(H,39,40)(H,41,42)/t22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50112100
(CHEMBL51202 | [4-[2-(2-tert-Butoxycarbonylamino-3-...)Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)-c1nnn[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H41N7O7/c1-5-6-10-15-32-28(41)23(18-21-13-14-25(44-19-26(39)40)22(16-21)27-35-37-38-36-27)33-29(42)24(17-20-11-8-7-9-12-20)34-30(43)45-31(2,3)4/h7-9,11-14,16,23-24H,5-6,10,15,17-19H2,1-4H3,(H,32,41)(H,33,42)(H,34,43)(H,39,40)(H,35,36,37,38)/t23-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50612074
(CHEMBL5280965) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50118765
(3-(carboxyformamido)-5-(4-(carboxymethoxy)phenyl)t...)Show SMILES OC(=O)COc1ccc(cc1)-c1cc(NC(=O)C(O)=O)c(s1)C(O)=O Show InChI InChI=1S/C15H11NO8S/c17-11(18)6-24-8-3-1-7(2-4-8)10-5-9(12(25-10)14(20)21)16-13(19)15(22)23/h1-5H,6H2,(H,16,19)(H,17,18)(H,20,21)(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Rattus norvegicus (rat)) | BDBM13606
((3S)-3-{[(1S)-1-{[(1S)-1-carbamoylpentyl]carbamoyl...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C21H30N4O10S/c1-3-4-5-15(19(22)29)24-20(30)16(25-21(31)17(11-18(27)28)23-12(2)26)10-13-6-8-14(9-7-13)35-36(32,33)34/h6-9,15-17H,3-5,10-11H2,1-2H3,(H2,22,29)(H,23,26)(H,24,30)(H,25,31)(H,27,28)(H,32,33,34)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50118796
(6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | 6-(...)Show InChI InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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AffyNet
| CHEMBL
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MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50118779
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase F
(Rattus norvegicus) | BDBM50612085
(CHEMBL5269879)Show SMILES OC(=O)c1ccc(CCNC(=O)c2cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase alpha
(Homo sapiens (Human)) | BDBM50612085
(CHEMBL5269879)Show SMILES OC(=O)c1ccc(CCNC(=O)c2cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase alpha
(Homo sapiens (Human)) | BDBM50118796
(6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | 6-(...)Show InChI InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18) | PDB
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| | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase F
(Homo sapiens (Human)) | BDBM50118796
(6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | 6-(...)Show InChI InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18) | PDB
MMDB
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antibodypedia
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| | 4.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase F
(Homo sapiens (Human)) | BDBM50118779
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13) | PDB
MMDB
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| | 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein phosphatase alpha
(Homo sapiens (Human)) | BDBM50118779
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13) | PDB
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| | 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Dual specificity protein phosphatase 3
(Homo sapiens (Human)) | BDBM50612085
(CHEMBL5269879)Show SMILES OC(=O)c1ccc(CCNC(=O)c2cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)cc(NC(=O)CCc3ccc(cc3)C(F)(F)P(O)(O)=O)c2)cc1 | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| | 3.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16315
(6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50122956
(CHEMBL138065 | [2,4-Bis-(4-methoxy-benzoyl)-pyrrol...)Show SMILES COc1ccc(cc1)C(=O)c1cc(C(=O)c2ccc(OC)cc2)n(CC(O)=O)c1 Show InChI InChI=1S/C22H19NO6/c1-28-17-7-3-14(4-8-17)21(26)16-11-19(23(12-16)13-20(24)25)22(27)15-5-9-18(29-2)10-6-15/h3-12H,13H2,1-2H3,(H,24,25) | PDB
MMDB
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| | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612104
(CHEMBL5290902)Show SMILES COC(CC(C)C)c1ccc2ccc(CC(Cc3ccc(cc3)C(F)(F)P(O)(O)=O)(c3ccccc3)n3nnc4ccccc34)c(c2n1)P(O)(O)=O | PDB
MMDB
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Reactome pathway
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| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612109
(CHEMBL5275241)Show SMILES OP(O)(=O)C(F)(F)c1cc2ccc(cc2cc1Br)C(Cc1ccc2cc(Br)c(cc2c1)C(F)(F)P(O)(O)=O)(C(=O)c1ccccc1)n1nnc2ccccc12 | PDB
MMDB
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Reactome pathway
KEGG
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| PC cid
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| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50612073
(CHEMBL5286261)Show SMILES OC(=O)COc1cc(F)ccc1C(=S)NCc1cccc(c1)[N+]([O-])=O | PDB
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| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142317
((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Br Show InChI InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29) | PDB
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| PDB
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142318
(CHEMBL428651 | {[2-Chloro-4-(3-oxo-2,3-diphenyl-pr...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Cl Show InChI InChI=1S/C22H18ClF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29) | PDB
MMDB
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| CHEMBL
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| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142311
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41) | PDB
MMDB
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Similars
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
Citation and Details
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More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612064
(CHEMBL5285288)Show SMILES CC(C)OC(=O)c1cc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)ccc1C(F)(F)P(O)(O)=O | PDB
MMDB
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Reactome pathway
KEGG
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DrugBank
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| PC cid
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| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612102
(CHEMBL5273366)Show SMILES OP(O)(=O)C(F)(F)c1ccc(C[C@](c2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc(F)c(F)c2)n2nnc3ccccc23)cc1 |r| | PDB
MMDB
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Reactome pathway
KEGG
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| PC cid
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| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612101
(CHEMBL5289453)Show SMILES OP(O)(=O)C(F)(F)c1ccc(C[C@@](c2ccccc2)(c2ccc(cc2)C(F)(F)P(O)(O)=O)n2nnc3ccccc23)cc1 |r| | PDB
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Reactome pathway
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| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612103
(CHEMBL5268825)Show SMILES OP(O)(=O)C(F)(F)c1ccc(C[C@](\C=C\c2ccccc2)(c2nc3ccccc3s2)n2nnc3ccccc23)cc1 |r| | PDB
MMDB
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Reactome pathway
KEGG
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| PC cid
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| | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
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More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM16313
(2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioy...)Show InChI InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13814
(({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...)Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12 Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+ | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50612080
(CHEMBL5273049)Show SMILES OC(=O)CNC(=O)c1ccc(cc1)N1C(=S)S\C(=C/c2cn(nc2-c2cccc(F)c2)-c2ccccc2)C1=O | PDB
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142312
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H26F4O10P2/c1-40-23(32)25(24(33)41-17-20-5-3-2-4-6-20,15-18-7-11-21(12-8-18)26(28,29)42(34,35)36)16-19-9-13-22(14-10-19)27(30,31)43(37,38)39/h2-14H,15-17H2,1H3,(H2,34,35,36)(H2,37,38,39) | PDB
MMDB
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Reactome pathway
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Similars
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142313
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES CC(C)OC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OC(C)C Show InChI InChI=1S/C25H30F4O10P2/c1-15(2)38-21(30)23(22(31)39-16(3)4,13-17-5-9-19(10-6-17)24(26,27)40(32,33)34)14-18-7-11-20(12-8-18)25(28,29)41(35,36)37/h5-12,15-16H,13-14H2,1-4H3,(H2,32,33,34)(H2,35,36,37) | PDB
MMDB
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Reactome pathway
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Similars
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair |
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142307
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C33H30F4O10P2/c34-32(35,48(40,41)42)27-15-11-23(12-16-27)19-31(29(38)46-21-25-7-3-1-4-8-25,30(39)47-22-26-9-5-2-6-10-26)20-24-13-17-28(18-14-24)33(36,37)49(43,44)45/h1-18H,19-22H2,(H2,40,41,42)(H2,43,44,45) | PDB
MMDB
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| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50612063
(CHEMBL5271227)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)cc1 | PDB
MMDB
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Reactome pathway
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| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50612070
(CHEMBL5286592)Show SMILES OC(=O)Cn1cc(cc1C(=O)c1ccccc1)-c1nc2ccccc2s1 | PDB
MMDB
Reactome pathway
KEGG
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| | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50612069
(CHEMBL5279574) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
| | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
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| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50612081
(CHEMBL5271166)Show SMILES Cc1cccc(c1)-c1nn(cc1\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(=O)NCC(O)=O)-c1ccccc1 | PDB
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More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50543509
(CHEMBL4636119)Show SMILES CCOS(=O)(=O)\C=C\c1ccc(COc2cc(COc3ccc(C(O)=O)c(O)c3)ccc2C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C44H37NO10S/c1-2-54-56(50,51)25-24-30-8-10-31(11-9-30)28-53-42-26-32(29-52-38-21-23-39(44(48)49)41(46)27-38)12-22-40(42)43(47)45-35-15-19-37(20-16-35)55-36-17-13-34(14-18-36)33-6-4-3-5-7-33/h3-27,46H,2,28-29H2,1H3,(H,45,47)(H,48,49)/b25-24+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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