Found 673 hits with Last Name = 'waldmann' and Initial = 'h' 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 |
|---|
Estrogen receptor
(Homo sapiens (Human)) | BDBM50323701
(2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...)Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Molekulare Physiologie
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human ERalpha ligand binding domain expressed in Escherichia coli BL21 (DE3) |
Nat Chem Biol 5: 585-92 (2009)
Article DOI: 10.1038/nchembio.188
BindingDB Entry DOI: 10.7270/Q2MP53F2 |
More data for this
Ligand-Target Pair | |
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 |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50341987
((S)-4-((S)-1-amino-3-(4-(difluoro(phosphono)methyl...)Show SMILES CCCCCCCCCCCCCCC(=O)N[C@@H](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)c1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C38H54F4N4O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-31(47)46-33(26-17-21-28(22-18-26)38(41,42)60(56,57)58)36(52)45-30(24-32(48)49)35(51)44-29(34(43)50)23-25-15-19-27(20-16-25)37(39,40)59(53,54)55/h15-22,29-30,33H,2-14,23-24H2,1H3,(H2,43,50)(H,44,51)(H,45,52)(H,46,47)(H,48,49)(H2,53,54,55)(H2,56,57,58)/t29-,30-,33+/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
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
M-phase inducer phosphatase 1
(Homo sapiens (Human)) | BDBM50106497
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6| Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc25A |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50106497
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6| Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc25C |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
M-phase inducer phosphatase 2
(Homo sapiens (Human)) | BDBM50106497
(6-Chloro-7-(2-morpholin-4-yl-ethylamino)-quinoline...)Show SMILES Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6| Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-4,20-21H,5-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc25B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
TYR_PHOSPHATASE_2 domain-containing protein
(Mycobacterium tuberculosis) | BDBM50341982
(5-(2-cyclohexyl-4-((1-(6-(4-fluoro-2-methylphenyls...)Show SMILES Cc1cc(F)ccc1S(=O)(=O)NCCCCCCn1cc(COc2ccc(-c3cc(no3)C(O)=O)c(c2)C2CCCCC2)nn1 Show InChI InChI=1S/C32H38FN5O6S/c1-22-17-24(33)11-14-31(22)45(41,42)34-15-7-2-3-8-16-38-20-25(35-37-38)21-43-26-12-13-27(30-19-29(32(39)40)36-44-30)28(18-26)23-9-5-4-6-10-23/h11-14,17-20,23,34H,2-10,15-16,21H2,1H3,(H,39,40) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis ptpB |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
TYR_PHOSPHATASE_2 domain-containing protein
(Mycobacterium tuberculosis) | BDBM50341985
(CHEMBL1765366)Show SMILES [O-][N+](=O)c1ccc2N(Cc3cccc(F)c3)C(=O)[C@@]3(N(C(=O)CS3(=O)=O)c3ccc(F)c(F)c3)c2c1 |r| Show InChI InChI=1S/C23H14F3N3O6S/c24-14-3-1-2-13(8-14)11-27-20-7-5-16(29(32)33)9-17(20)23(22(27)31)28(21(30)12-36(23,34)35)15-4-6-18(25)19(26)10-15/h1-10H,11-12H2/t23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis ptpB |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Methylosome protein 50/Protein arginine N-methyltransferase 5
(Homo sapiens (Human)) | BDBM50607731
(CHEMBL5219517)Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 313 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01273
BindingDB Entry DOI: 10.7270/Q2VD73K1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50342004
(4-(2-(3-(4-nitrophenyl)-5-oxo-1-phenyl-1H-pyrazol-...)Show SMILES OS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2ccccc2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10| Show InChI InChI=1S/C21H15N5O6S/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16/h1-13,24H,(H,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of SHP-2 |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Methylosome protein 50/Protein arginine N-methyltransferase 5
(Homo sapiens (Human)) | BDBM50607732
(CHEMBL5220502)Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 862 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01273
BindingDB Entry DOI: 10.7270/Q2VD73K1 |
More data for this
Ligand-Target Pair | |
Low molecular weight protein-tyrosine phosphatase A
(Mycobacterium tuberculosis) | BDBM50341977
(2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic a...)Show SMILES Cc1ccc(C)n1-c1ccc(O)cc1C(O)=O |(5.57,-.15,;4.1,-.62,;3.62,-2.09,;2.08,-2.09,;1.61,-.62,;.14,-.15,;2.86,.28,;2.85,1.82,;1.51,2.59,;1.51,4.14,;2.84,4.91,;2.84,6.45,;4.18,4.14,;4.18,2.59,;5.66,2.2,;6.75,3.29,;6.06,.71,)| Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis ptpA |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Methylosome protein 50/Protein arginine N-methyltransferase 5
(Homo sapiens (Human)) | BDBM50607730
(CHEMBL5220691)Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01273
BindingDB Entry DOI: 10.7270/Q2VD73K1 |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547124
(CHEMBL242708 | NCI-0001009) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Reversible inhibition of CPM binding to nonacylated N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-Codon... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50341977
(2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic a...)Show SMILES Cc1ccc(C)n1-c1ccc(O)cc1C(O)=O |(5.57,-.15,;4.1,-.62,;3.62,-2.09,;2.08,-2.09,;1.61,-.62,;.14,-.15,;2.86,.28,;2.85,1.82,;1.51,2.59,;1.51,4.14,;2.84,4.91,;2.84,6.45,;4.18,4.14,;4.18,2.59,;5.66,2.2,;6.75,3.29,;6.06,.71,)| Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Methylosome protein 50/Protein arginine N-methyltransferase 5
(Homo sapiens (Human)) | BDBM50607728
(CHEMBL5219427)Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01273
BindingDB Entry DOI: 10.7270/Q2VD73K1 |
More data for this
Ligand-Target Pair | |
Methylosome protein 50/Protein arginine N-methyltransferase 5
(Homo sapiens (Human)) | BDBM50607727
(CHEMBL5219049)Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01273
BindingDB Entry DOI: 10.7270/Q2VD73K1 |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547126
(CHEMBL4763473) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CPM binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells p... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Methylosome protein 50/Protein arginine N-methyltransferase 5
(Homo sapiens (Human)) | BDBM50607729
(CHEMBL5220586)Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r| | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01273
BindingDB Entry DOI: 10.7270/Q2VD73K1 |
More data for this
Ligand-Target Pair | |
Methylosome protein 50/Protein arginine N-methyltransferase 5
(Homo sapiens (Human)) | BDBM50607733
(CHEMBL5219642)Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCCC[C@H](NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(N)=O |r| | PDB
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| PC cid
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| 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01273
BindingDB Entry DOI: 10.7270/Q2VD73K1 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50543600
(CHEMBL4639853)Show SMILES Cc1cc(Nc2cc(Cl)nc(Oc3ccc(cc3)[N+]([O-])=O)n2)n[nH]1 Show InChI InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01800
BindingDB Entry DOI: 10.7270/Q20C50VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50341988
((3S)-4-((2S)-1-amino-3-(4-((((4-chlorobutyl)(methy...)Show SMILES CN(CCCCCl)P(=O)(OCc1ccc(o1)[N+]([O-])=O)C(F)(F)c1ccc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(OCc2cc(co2)[N+]([O-])=O)N(C)CCCCCl)C(N)=O)cc1 |r| Show InChI InChI=1S/C43H51Cl2F4N7O15P2/c1-53(19-5-3-17-44)72(66,69-26-33-15-16-38(71-33)56(64)65)42(46,47)30-11-7-28(8-12-30)21-35(40(50)60)52-41(61)36(24-39(58)59)51-37(57)22-29-9-13-31(14-10-29)43(48,49)73(67,54(2)20-6-4-18-45)70-27-34-23-32(25-68-34)55(62)63/h7-16,23,25,35-36H,3-6,17-22,24,26-27H2,1-2H3,(H2,50,60)(H,51,57)(H,52,61)(H,58,59)/t35-,36-,72?,73?/m0/s1 | PDB
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| CHEMBL
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
M-phase inducer phosphatase 1
(Homo sapiens (Human)) | BDBM50208827
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc25A |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50261979
(5-(6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-y...)Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccc2ncccc12 Show InChI InChI=1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01800
BindingDB Entry DOI: 10.7270/Q20C50VH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50341990
((S)-2-[2-(4-Methoxy-phenyl)-acetylamino]-N-{(S)-1-...)Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C35H42N4O7S/c1-3-4-8-19-36-34(42)29(21-25-11-15-27(16-12-25)31-23-33(41)39-47(31,44)45)38-35(43)30(20-24-9-6-5-7-10-24)37-32(40)22-26-13-17-28(46-2)18-14-26/h5-7,9-18,29-31H,3-4,8,19-23H2,1-2H3,(H,36,42)(H,37,40)(H,38,43)(H,39,41)/t29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50208827
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2 | PDB
MMDB
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| n/a | n/a | 56.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc25C |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547124
(CHEMBL242708 | NCI-0001009) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to nonacylated N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cell... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Dual specificity protein phosphatase 3
(Homo sapiens (Human)) | BDBM50303174
(2-(5-((3-(4-(2-fluorobenzyloxy)phenyl)-1-phenyl-1H...)Show SMILES OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O Show InChI InChI=1S/C28H22FN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16- | PDB
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| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of VHR |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50308840
(5-[2-Hydroxy-5-(1H-pyrrol-2-yl)-phenyl]-1,1-dioxo-...)Show InChI InChI=1S/C12H11N3O4S/c16-11-4-3-8(9-2-1-5-13-9)6-10(11)15-7-12(17)14-20(15,18)19/h1-6,13,16H,7H2,(H,14,17) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| Article
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547134
(CHEMBL4787565) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-Co... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01199
BindingDB Entry DOI: 10.7270/Q2FX7FFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50239833
((3-bromo-7-cyanonaphthalen-2-yl)difluoromethylphos...)Show InChI InChI=1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19) | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50588635
(CHEMBL5186013) | PDB
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01199
BindingDB Entry DOI: 10.7270/Q2FX7FFT |
More data for this
Ligand-Target Pair | |
M-phase inducer phosphatase 2
(Homo sapiens (Human)) | BDBM50208827
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2 | PDB
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| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc25B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50308839
(5-[3'-(6-Fluoro-2,3-dihydro-indol-1-yl)-biphenyl-4...)Show SMILES Fc1ccc2CCN(c2c1)c1cccc(c1)-c1ccc(CN2CC(=O)NS2(=O)=O)cc1 Show InChI InChI=1S/C23H20FN3O3S/c24-20-9-8-18-10-11-27(22(18)13-20)21-3-1-2-19(12-21)17-6-4-16(5-7-17)14-26-15-23(28)25-31(26,29)30/h1-9,12-13H,10-11,14-15H2,(H,25,28) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Acyl-protein thioesterase 2
(Homo sapiens (Human)) | BDBM50282567
(3,4-Dichlorophenyl boronic acid | 3,4-dichloro ben...)Show InChI InChI=1S/C6H5BCl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H | PDB
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| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Dortmund
| Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF... |
Chembiochem 14: 115-22 (2013)
Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50308846
(CHEMBL592245 | N-{(S)-1-(1H-Benzoimidazol-2-yl)-2-...)Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1N1CC(=O)NS1(=O)=O |r| Show InChI InChI=1S/C24H23N5O5S2/c1-16-13-17(11-12-22(16)29-15-23(30)28-36(29,33)34)14-21(24-25-19-9-5-6-10-20(19)26-24)27-35(31,32)18-7-3-2-4-8-18/h2-13,21,27H,14-15H2,1H3,(H,25,26)(H,28,30)/t21-/m0/s1 | PDB
MMDB
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Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01199
BindingDB Entry DOI: 10.7270/Q2FX7FFT |
More data for this
Ligand-Target Pair | |
M-phase inducer phosphatase 3
(Homo sapiens (Human)) | BDBM50341995
(5-(2-(dimethylamino)ethylamino)-2,6-dimethylbenzo[...)Show InChI InChI=1S/C13H17N3O2S/c1-7-9(14-5-6-16(3)4)12(18)10-13(11(7)17)19-8(2)15-10/h5,17-18H,6H2,1-4H3 | PDB
MMDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of human Cdc25C |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547146
(CHEMBL4745853)Show SMILES OCc1cc(=O)c(O)c(o1)C(Nc1ccccc1)c1ccc(Br)cc1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-Co... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547136
(CHEMBL4757924)Show SMILES CC(C)c1ccc(cc1)C(Nc1ccccc1)c1oc(CO)cc(=O)c1O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-Co... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547135
(CHEMBL4776143)Show SMILES OCc1cc(=O)c(O)c(o1)C(Nc1ccccc1)c1ccc2ccccc2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-Co... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547124
(CHEMBL242708 | NCI-0001009) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-Co... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547154
(CHEMBL4745831) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-Co... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Transcriptional enhancer factor TEF-3
(Homo sapiens) | BDBM50547142
(CHEMBL4757369) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-Co... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01275
BindingDB Entry DOI: 10.7270/Q2QN6BC1 |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM50588635
(CHEMBL5186013) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01199
BindingDB Entry DOI: 10.7270/Q2FX7FFT |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50341993
(4-((3-((3-(4-carboxybenzyl)-4-oxo-2-(phenylimino)t...)Show SMILES OC(=O)c1ccc(COc2cccc(\C=C3/S\C(=N/c4ccccc4)N(Cc4ccc(cc4)C(O)=O)C3=O)c2)cc1 Show InChI InChI=1S/C32H24N2O6S/c35-29-28(18-23-5-4-8-27(17-23)40-20-22-11-15-25(16-12-22)31(38)39)41-32(33-26-6-2-1-3-7-26)34(29)19-21-9-13-24(14-10-21)30(36)37/h1-18H,19-20H2,(H,36,37)(H,38,39)/b28-18-,33-32- | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50341994
(2-(((5-tert-butylthiazol-2-yl)methyl)((4-(4-((4-(h...)Show SMILES CCCC(CCC)c1ccc(OCc2ccc(cc2)-c2csc(CN(CC(O)=O)Cc3ncc(s3)C(C)(C)C)n2)cc1 Show InChI InChI=1S/C34H43N3O3S2/c1-6-8-25(9-7-2)26-14-16-28(17-15-26)40-22-24-10-12-27(13-11-24)29-23-41-32(36-29)20-37(21-33(38)39)19-31-35-18-30(42-31)34(3,4)5/h10-18,23,25H,6-9,19-22H2,1-5H3,(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
TYR_PHOSPHATASE_2 domain-containing protein
(Mycobacterium tuberculosis) | BDBM26104
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Max-Planck-Institute of Molecular Physiology
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis ptpB |
Bioorg Med Chem 19: 2145-55 (2011)
Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK |
More data for this
Ligand-Target Pair | |
Acyl-protein thioesterase 2
(Homo sapiens (Human)) | BDBM92722
(Phenylboronic acid, 15)Show InChI InChI=1S/C12H10BIO3/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8,15-16H | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 238 | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Dortmund
| Assay Description
The enzyme activities were determined by measuring the release of fluorescent 6,8-difluoro-4-methylumbelliferone (DiFMU) by the APT hydrolysis of DiF... |
Chembiochem 14: 115-22 (2013)
Article DOI: 10.1002/cbic.201200571
BindingDB Entry DOI: 10.7270/Q2NS0SG7 |
More data for this
Ligand-Target Pair | |
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