Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50040437 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)) | BDBM50148911
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)Show SMILES C[C@@H]1CC[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]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins |
Bioorg Med Chem 20: 6459-64 (2012)
Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50394207
(CHEMBL2159047)Show SMILES [#6]-[#8]-c1ccc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]-1-[#6]-[#8]-c2cc(-[#8])cc(-[#8])c2-[#6]-1=O |r| Show InChI InChI=1S/C21H22O5/c1-12(2)4-5-14-8-13(6-7-18(14)25-3)16-11-26-19-10-15(22)9-17(23)20(19)21(16)24/h4,6-10,16,22-23H,5,11H2,1-3H3/t16-/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 | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins |
Bioorg Med Chem 20: 6459-64 (2012)
Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50394204
(CHEMBL2159045)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(ccc1-[#8])-c1coc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])ccc2c1=O Show InChI InChI=1S/C25H26O4/c1-15(2)5-7-18-13-17(8-11-22(18)26)21-14-29-25-19(9-6-16(3)4)23(27)12-10-20(25)24(21)28/h5-6,8,10-14,26-27H,7,9H2,1-4H3 | 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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins |
Bioorg Med Chem 20: 6459-64 (2012)
Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50394206
(CHEMBL2159046)Show SMILES COc1cc2OC(C)(C)C=Cc2cc1[C@H]1COc2cc(O)cc(O)c2C1=O |r,c:9| Show InChI InChI=1S/C21H20O6/c1-21(2)5-4-11-6-13(17(25-3)9-16(11)27-21)14-10-26-18-8-12(22)7-15(23)19(18)20(14)24/h4-9,14,22-23H,10H2,1-3H3/t14-/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 | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins |
Bioorg Med Chem 20: 6459-64 (2012)
Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50394208
(CHEMBL2159048)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc2c(occ(-c3ccc(-[#8])cc3-[#8])c2=O)c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8] Show InChI InChI=1S/C25H26O5/c1-14(2)5-7-16-11-20-24(29)21(18-10-8-17(26)12-22(18)27)13-30-25(20)19(23(16)28)9-6-15(3)4/h5-6,8,10-13,26-28H,7,9H2,1-4H3 | 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 | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins |
Bioorg Med Chem 20: 6459-64 (2012)
Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50394205
(CHEMBL2159049)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]-[#6](-[#6]-c2c(-[#8])c2c1occ(-c1ccc(-[#8])cc1)c2=O)C([#6])([#6])[#8] Show InChI InChI=1S/C25H26O6/c1-13(2)5-10-16-23-17(11-19(31-23)25(3,4)29)21(27)20-22(28)18(12-30-24(16)20)14-6-8-15(26)9-7-14/h5-9,12,19,26-27,29H,10-11H2,1-4H3 | 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 | 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins |
Bioorg Med Chem 20: 6459-64 (2012)
Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50394209
(CHEMBL2159050)Show SMILES COC(C(O)C(C)(C)O)c1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)cc1)c2=O |c:15| Show InChI InChI=1S/C26H28O8/c1-25(2)11-10-15-19(28)17-20(29)16(13-6-8-14(27)9-7-13)12-33-22(17)18(21(15)34-25)23(32-5)24(30)26(3,4)31/h6-12,23-24,27-28,30-31H,1-5H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chosun University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins |
Bioorg Med Chem 20: 6459-64 (2012)
Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS |
More data for this
Ligand-Target Pair | |
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