Found 5 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)) | BDBM50008525
(CHEMBL3235604)Show SMILES CC1=CC(C)(C)N=C2C[C@]3(C)C(=O)C(C)(C)N=C3C(C)=C12 |r,c:16,t:1,6,20| Show InChI InChI=1S/C18H24N2O/c1-10-8-16(3,4)19-12-9-18(7)14(11(2)13(10)12)20-17(5,6)15(18)21/h8H,9H2,1-7H3/t18-/m0/s1 | 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 | 6.44E+3 | 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) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry |
J Nat Prod 77: 807-12 (2014)
Article DOI: 10.1021/np4009078 BindingDB Entry DOI: 10.7270/Q2WW7K61 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50341989
(3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFUR...)Show SMILES CCc1oc2cc(ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 6.81E+3 | 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) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry |
J Nat Prod 77: 807-12 (2014)
Article DOI: 10.1021/np4009078 BindingDB Entry DOI: 10.7270/Q2WW7K61 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50008518
(CHEMBL3235602)Show SMILES CC(C)C1=C2C=C3C(C)=CC(C)(C)N=C3C[C@@]2(C)CC1=O |r,c:3,8,13,t:5| Show InChI InChI=1S/C19H25NO/c1-11(2)17-14-7-13-12(3)8-18(4,5)20-15(13)9-19(14,6)10-16(17)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1 | 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 | 9.71E+3 | 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) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry |
J Nat Prod 77: 807-12 (2014)
Article DOI: 10.1021/np4009078 BindingDB Entry DOI: 10.7270/Q2WW7K61 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50008517
(CHEMBL3235601)Show SMILES CC(C)C1=CC2=C3C(C[C@@]2(C)CC1=O)=NC(C)(C)C=C3C |r,c:15,20,t:3,5| Show InChI InChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3/t19-/m0/s1 | 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 | 9.97E+3 | 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) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry |
J Nat Prod 77: 807-12 (2014)
Article DOI: 10.1021/np4009078 BindingDB Entry DOI: 10.7270/Q2WW7K61 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50008519
(CHEMBL3235603)Show SMILES CC(C)[C@@]12CC(=O)C(C)=C1C=C1C(C)=CC(C)(C)N=C1C2 |r,c:8,14,19,t:11| Show InChI InChI=1S/C19H25NO/c1-11(2)19-9-16-14(12(3)8-18(5,6)20-16)7-15(19)13(4)17(21)10-19/h7-8,11H,9-10H2,1-6H3/t19-/m1/s1 | 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 | 1.69E+4 | 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) using nitrophenyl phosphate as substrate after 30 mins by spectrophotometry |
J Nat Prod 77: 807-12 (2014)
Article DOI: 10.1021/np4009078 BindingDB Entry DOI: 10.7270/Q2WW7K61 |
More data for this Ligand-Target Pair | |