Found 12 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)) | BDBM50060922
(CHEMBL3394769)Show SMILES [#8]-[#6]-c1ccc(-c2ccc(-[#8])cc2)c(\[#6](=[#6]-2/[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1 |c:17,21| Show InChI InChI=1S/C34H24O5/c35-21-26-10-20-31(23-4-13-28(37)14-5-23)34(32(26)19-3-22-1-11-27(36)12-2-22)33(24-6-15-29(38)16-7-24)25-8-17-30(39)18-9-25/h1-2,4-18,20,35-38H,21H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060921
(CHEMBL3394770)Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)\c1c(ccc(-[#6]-[#8])c1C#Cc1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 |c:11,15| Show InChI InChI=1S/C35H26O5/c1-40-31-18-9-26(10-19-31)34(25-7-16-30(39)17-8-25)35-32(24-5-14-29(38)15-6-24)21-11-27(22-36)33(35)20-4-23-2-12-28(37)13-3-23/h2-3,5-19,21,36-38H,22H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060920
(CHEMBL3394771)Show SMILES OCc1ccc(-c2ccc(O)cc2O)c(c1C#Cc1ccc(O)cc1)C(O)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C34H26O7/c35-20-22-4-17-31(30-18-15-28(39)19-32(30)40)33(29(22)16-3-21-1-9-25(36)10-2-21)34(41,23-5-11-26(37)12-6-23)24-7-13-27(38)14-8-24/h1-2,4-15,17-19,35-41H,20H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060918
(Selaginellin)Show SMILES [#8]-c1ccc(cc1)C#Cc1cccc(-c2ccc(-[#8])cc2)c1\[#6](=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1 |c:27,31| Show InChI InChI=1S/C33H22O3/c34-28-17-10-23(11-18-28)9-12-26-7-4-8-31(24-13-19-29(35)20-14-24)33(26)32(25-5-2-1-3-6-25)27-15-21-30(36)22-16-27/h1-8,10-11,13-22,34-35H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Mixed-competitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060919
(CHEMBL3394772)Show SMILES COCc1ccc(-c2ccc(O)cc2O)c(c1C#Cc1ccc(O)cc1)C(O)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C35H28O7/c1-42-21-23-5-18-32(31-19-16-29(39)20-33(31)40)34(30(23)17-4-22-2-10-26(36)11-3-22)35(41,24-6-12-27(37)13-7-24)25-8-14-28(38)15-9-25/h2-3,5-16,18-20,36-41H,21H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Uncompetitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060923
(CHEMBL3394773)Show InChI InChI=1S/C15H10N2O3/c18-15(19)14-17-16-13(20-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
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 | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060922
(CHEMBL3394769)Show SMILES [#8]-[#6]-c1ccc(-c2ccc(-[#8])cc2)c(\[#6](=[#6]-2/[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)-c2ccc(-[#8])cc2)c1C#Cc1ccc(-[#8])cc1 |c:17,21| Show InChI InChI=1S/C34H24O5/c35-21-26-10-20-31(23-4-13-28(37)14-5-23)34(32(26)19-3-22-1-11-27(36)12-2-22)33(24-6-15-29(38)16-7-24)25-8-17-30(39)18-9-25/h1-2,4-18,20,35-38H,21H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060921
(CHEMBL3394770)Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)\c1c(ccc(-[#6]-[#8])c1C#Cc1ccc(-[#8])cc1)-c1ccc(-[#8])cc1 |c:11,15| Show InChI InChI=1S/C35H26O5/c1-40-31-18-9-26(10-19-31)34(25-7-16-30(39)17-8-25)35-32(24-5-14-29(38)15-6-24)21-11-27(22-36)33(35)20-4-23-2-12-28(37)13-3-23/h2-3,5-19,21,36-38H,22H2,1H3 | 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 | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060918
(Selaginellin)Show SMILES [#8]-c1ccc(cc1)C#Cc1cccc(-c2ccc(-[#8])cc2)c1\[#6](=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1 |c:27,31| Show InChI InChI=1S/C33H22O3/c34-28-17-10-23(11-18-28)9-12-26-7-4-8-31(24-13-19-29(35)20-14-24)33(26)32(25-5-2-1-3-6-25)27-15-21-30(36)22-16-27/h1-8,10-11,13-22,34-35H | 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 | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060919
(CHEMBL3394772)Show SMILES COCc1ccc(-c2ccc(O)cc2O)c(c1C#Cc1ccc(O)cc1)C(O)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C35H28O7/c1-42-21-23-5-18-32(31-19-16-29(39)20-33(31)40)34(30(23)17-4-22-2-10-26(36)11-3-22)35(41,24-6-12-27(37)13-7-24)25-8-14-28(38)15-9-25/h2-3,5-16,18-20,36-41H,21H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.94E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50060920
(CHEMBL3394771)Show SMILES OCc1ccc(-c2ccc(O)cc2O)c(c1C#Cc1ccc(O)cc1)C(O)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C34H26O7/c35-20-22-4-17-31(30-18-15-28(39)19-32(30)40)33(29(22)16-3-21-1-9-25(36)10-2-21)34(41,23-5-11-26(37)12-6-23)24-7-13-27(38)14-8-24/h1-2,4-15,17-19,35-41H,20H2 | 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 | 2.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Catholic University of Daegu
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate |
J Nat Prod 78: 34-42 (2015)
Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15 |
More data for this Ligand-Target Pair | |