BDBM50320331 (S)-2-((1R,2R)-2-(2,3-DICHLORO-4H-THIENO[3,2-B]PYRROLE-5-CARBOXAMIDO)-2,3-DIHYDRO-1H-INDEN-1-YL)-4-METHOXYBUTANOIC ACID (DIASTEREOMERIC MIX)::(S)-2-((1R,2R)-2-(2,3-di chloro-4H-thieno[3,2-b]pyrrole-5-carboxamido)-2,3-dihydro-1H-inden-1-yl)-4-methoxybutanoic acid::(S)-2-((1R,2R)-2-(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carboxamido)-2,3-dihydro-1H-inden-1-yl)-4-methoxybutanoic acid::CHEMBL1084328
SMILES: COCCC([C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1)C(O)=O
InChI Key: InChIKey=QAOGQNRLWKYNAK-QVNUIZJESA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50320331 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50320331
((S)-2-((1R,2R)-2-(2,3-DICHLORO-4H-THIENO[3,2-B]PYR...)Show SMILES COCCC([C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1)C(O)=O |r| Show InChI InChI=1S/C21H20Cl2N2O4S/c1-29-7-6-12(21(27)28)16-11-5-3-2-4-10(11)8-13(16)25-20(26)14-9-15-18(24-14)17(22)19(23)30-15/h2-5,9,12-13,16,24H,6-8H2,1H3,(H,25,26)(H,27,28)/t12?,13-,16+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 20: 3511-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.147 BindingDB Entry DOI: 10.7270/Q2571C66 |
More data for this Ligand-Target Pair | |
Glycogen Phosphorylase (PYGL)
(Homo sapiens (Human)) | BDBM50320331
((S)-2-((1R,2R)-2-(2,3-DICHLORO-4H-THIENO[3,2-B]PYR...)Show SMILES COCCC([C@H]1[C@@H](Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1)C(O)=O |r| Show InChI InChI=1S/C21H20Cl2N2O4S/c1-29-7-6-12(21(27)28)16-11-5-3-2-4-10(11)8-13(16)25-20(26)14-9-15-18(24-14)17(22)19(23)30-15/h2-5,9,12-13,16,24H,6-8H2,1H3,(H,25,26)(H,27,28)/t12?,13-,16+/m1/s1 | PDB MMDB
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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant liver glycogen phosphorylase by multienzyme-coupled reaction |
Bioorg Med Chem Lett 20: 3511-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.147 BindingDB Entry DOI: 10.7270/Q2571C66 |
More data for this Ligand-Target Pair | |