BDBM50219580 4-bromo-3-(carboxymethoxy)-5-[3-({1-[(4-chlorobenzyl)sulfonyl]piperidin-4-yl}amino)phenyl]thiophene-2-carboxylic acid::CHEMBL230643
SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccc(Cl)cc2)c1
InChI Key: InChIKey=CWDWNOPXQHKDTA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50219580 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50219580
(4-bromo-3-(carboxymethoxy)-5-[3-({1-[(4-chlorobenz...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C25H24BrClN2O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)16-2-1-3-19(12-16)28-18-8-10-29(11-9-18)38(34,35)14-15-4-6-17(27)7-5-15/h1-7,12,18,28H,8-11,13-14H2,(H,30,31)(H,32,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant TCPTP |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | |
Protein-tyrosine phosphatase 1B
(Homo sapiens (Human)) | BDBM50219580
(4-bromo-3-(carboxymethoxy)-5-[3-({1-[(4-chlorobenz...)Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C25H24BrClN2O7S2/c26-21-22(36-13-20(30)31)24(25(32)33)37-23(21)16-2-1-3-19(12-16)28-18-8-10-29(11-9-18)38(34,35)14-15-4-6-17(27)7-5-15/h1-7,12,18,28H,8-11,13-14H2,(H,30,31)(H,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP1B |
J Med Chem 50: 4681-98 (2007)
Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37 |
More data for this Ligand-Target Pair | 3D Structure (docked) |