Found 4 hits of Enzyme Inhibition Constant Data 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)) | BDBM50346601
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 25: 3087-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.026
BindingDB Entry DOI: 10.7270/Q2WW7KF5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107846
(CHEMBL3601068)Show SMILES [H][C@@]12CC[C@]3(C)Oc4cc(O)c5C(=O)O[C@H](C)Cc5c4C[C@@]3([H])[C@@]1(C)C=CC(=O)C2(C)C |r,c:29| Show InChI InChI=1S/C25H30O5/c1-13-10-15-14-11-19-24(4)8-7-20(27)23(2,3)18(24)6-9-25(19,5)30-17(14)12-16(26)21(15)22(28)29-13/h7-8,12-13,18-19,26H,6,9-11H2,1-5H3/t13-,18+,19+,24+,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
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 25: 3087-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.026
BindingDB Entry DOI: 10.7270/Q2WW7KF5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107845
(CHEMBL3581315)Show SMILES [H][C@@]12C[C@H](O)[C@]3(C)Oc4cc(O)c5C(=O)O[C@H](C)[C@H](O)c5c4C[C@@]3([H])[C@@]1(C)C=CC(=O)C2(C)C |r,c:31| Show InChI InChI=1S/C25H30O7/c1-11-21(29)19-12-8-16-24(4)7-6-17(27)23(2,3)15(24)10-18(28)25(16,5)32-14(12)9-13(26)20(19)22(30)31-11/h6-7,9,11,15-16,18,21,26,28-29H,8,10H2,1-5H3/t11-,15+,16+,18+,21+,24+,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
| n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 25: 3087-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.026
BindingDB Entry DOI: 10.7270/Q2WW7KF5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50107844
(CHEMBL3581318)Show SMILES [H][C@@]12C[C@H](O)[C@]3(C)Oc4cc(O)c5C(=O)O[C@H](C)Cc5c4C[C@@]3([H])[C@@]1(C)CCC(=O)C2(C)C |r| Show InChI InChI=1S/C25H32O6/c1-12-8-14-13-9-18-24(4)7-6-19(27)23(2,3)17(24)11-20(28)25(18,5)31-16(13)10-15(26)21(14)22(29)30-12/h10,12,17-18,20,26,28H,6-9,11H2,1-5H3/t12-,17+,18+,20+,24+,25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B (unknown origin) |
Bioorg Med Chem Lett 25: 3087-90 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.026
BindingDB Entry DOI: 10.7270/Q2WW7KF5 |
More data for this
Ligand-Target Pair | |
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