Found 16 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)) | 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 | 4.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254055
(CHEMBL4080452)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C24H19NO4S/c1-28-21-20(14-30-22(21)24(27)29-2)16-9-11-19(12-10-16)25-23(26)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254042
(CHEMBL4098471)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1 Show InChI InChI=1S/C21H16F3NO5S/c1-28-17-16(11-31-18(17)20(27)29-2)12-6-8-14(9-7-12)25-19(26)13-4-3-5-15(10-13)30-21(22,23)24/h3-11H,1-2H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254037
(CHEMBL4062183)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2ccc(nc2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15F3N2O4S/c1-28-16-14(10-30-17(16)19(27)29-2)11-3-6-13(7-4-11)25-18(26)12-5-8-15(24-9-12)20(21,22)23/h3-10H,1-2H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254035
(CHEMBL4097912)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2ncc(Cl)cc2Br)cc1 Show InChI InChI=1S/C19H14BrClN2O4S/c1-26-16-13(9-28-17(16)19(25)27-2)10-3-5-12(6-4-10)23-18(24)15-14(20)7-11(21)8-22-15/h3-9H,1-2H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254058
(CHEMBL4095096)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C19H16N2O4S/c1-24-16-14(11-26-17(16)19(23)25-2)12-6-8-13(9-7-12)21-18(22)15-5-3-4-10-20-15/h3-11H,1-2H3,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254059
(CHEMBL4090749)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H16F3NO4S/c1-28-17-16(11-30-18(17)20(27)29-2)12-6-8-15(9-7-12)25-19(26)13-4-3-5-14(10-13)21(22,23)24/h3-11H,1-2H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254034
(CHEMBL4067061)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2ccc(F)c(Cl)n2)cc1 Show InChI InChI=1S/C19H14ClFN2O4S/c1-26-15-12(9-28-16(15)19(25)27-2)10-3-5-11(6-4-10)22-18(24)14-8-7-13(21)17(20)23-14/h3-9H,1-2H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254057
(CHEMBL4064140)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2ccc(nc2)C#N)cc1 Show InChI InChI=1S/C20H15N3O4S/c1-26-17-16(11-28-18(17)20(25)27-2)12-3-6-14(7-4-12)23-19(24)13-5-8-15(9-21)22-10-13/h3-8,10-11H,1-2H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254056
(CHEMBL4070801)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2cccc(I)c2)cc1 Show InChI InChI=1S/C20H16INO4S/c1-25-17-16(11-27-18(17)20(24)26-2)12-6-8-15(9-7-12)22-19(23)13-4-3-5-14(21)10-13/h3-11H,1-2H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254033
(CHEMBL4094529)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C21H16F3NO4S/c1-28-17-16(11-30-18(17)20(27)29-2)12-5-9-15(10-6-12)25-19(26)13-3-7-14(8-4-13)21(22,23)24/h3-11H,1-2H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254039
(CHEMBL4105655)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C21H17Cl2NO4S/c1-27-19-15(11-29-20(19)21(26)28-2)12-6-8-13(9-7-12)24-18(25)10-14-16(22)4-3-5-17(14)23/h3-9,11H,10H2,1-2H3,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254036
(CHEMBL4090200)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2ccc(cc2Br)C(F)(F)F)cc1 Show InChI InChI=1S/C21H15BrF3NO4S/c1-29-17-15(10-31-18(17)20(28)30-2)11-3-6-13(7-4-11)26-19(27)14-8-5-12(9-16(14)22)21(23,24)25/h3-10H,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254041
(CHEMBL4074642)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2cc(I)ccc2F)cc1 Show InChI InChI=1S/C20H15FINO4S/c1-26-17-15(10-28-18(17)20(25)27-2)11-3-6-13(7-4-11)23-19(24)14-9-12(22)5-8-16(14)21/h3-10H,1-2H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254038
(CHEMBL4089269)Show SMILES COC(=O)c1scc(c1OC)-c1ccc(NC(=O)c2ccc(OC)nc2)cc1 Show InChI InChI=1S/C20H18N2O5S/c1-25-16-9-6-13(10-21-16)19(23)22-14-7-4-12(5-8-14)15-11-28-18(17(15)26-2)20(24)27-3/h4-11H,1-3H3,(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50254040
(CHEMBL4081395)Show InChI InChI=1S/C18H15NO4S2/c1-22-15-13(10-25-16(15)18(21)23-2)11-5-7-12(8-6-11)19-17(20)14-4-3-9-24-14/h3-10H,1-2H3,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
K L University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PTP1B (unknown origin) using pNPP substrate |
Bioorg Med Chem Lett 27: 3558-3564 (2017)
Article DOI: 10.1016/j.bmcl.2017.05.047
BindingDB Entry DOI: 10.7270/Q2JS9SVN |
More data for this
Ligand-Target Pair | |
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