Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50246744' 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)) | BDBM50246744
((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(4-carboxy...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C38H54O5/c1-33(2)18-20-38(32(41)42)21-19-36(6)26(27(38)22-33)12-13-29-35(5)16-15-30(34(3,4)28(35)14-17-37(29,36)7)43-23-24-8-10-25(11-9-24)31(39)40/h8-12,27-30H,13-23H2,1-7H3,(H,39,40)(H,41,42)/t27-,28-,29+,30-,35-,36+,37+,38-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) by pNPP assay |
Bioorg Med Chem 16: 8697-705 (2008)
Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50246744
((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(4-carboxy...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C38H54O5/c1-33(2)18-20-38(32(41)42)21-19-36(6)26(27(38)22-33)12-13-29-35(5)16-15-30(34(3,4)28(35)14-17-37(29,36)7)43-23-24-8-10-25(11-9-24)31(39)40/h8-12,27-30H,13-23H2,1-7H3,(H,39,40)(H,41,42)/t27-,28-,29+,30-,35-,36+,37+,38-/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
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PTP1B (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-010-9529-5
BindingDB Entry DOI: 10.7270/Q2F76GFZ |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50246744
((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(4-carboxy...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C38H54O5/c1-33(2)18-20-38(32(41)42)21-19-36(6)26(27(38)22-33)12-13-29-35(5)16-15-30(34(3,4)28(35)14-17-37(29,36)7)43-23-24-8-10-25(11-9-24)31(39)40/h8-12,27-30H,13-23H2,1-7H3,(H,39,40)(H,41,42)/t27-,28-,29+,30-,35-,36+,37+,38-/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
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of PTP1B (unknown origin) |
Citation and Details
Article DOI: 10.1007/s00044-010-9529-5
BindingDB Entry DOI: 10.7270/Q2F76GFZ |
More data for this
Ligand-Target Pair | |
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