null
SMILES: COc1cc(OCC(O)CO)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
InChI Key: InChIKey=JUOFKXYNMCCWAA-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50425800 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 |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50425800
![PNG](/data/jpeg/tenK5042/BindingDB_50425800.png) (CHEMBL2316887)Show SMILES COc1cc(OCC(O)CO)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O Show InChI InChI=1S/C18H19ClN2O7S/c1-27-15-5-14(28-8-11(23)7-22)12(19)4-13(15)21-16(24)9-29-17-3-2-10(6-20-17)18(25)26/h2-6,11,22-23H,7-9H2,1H3,(H,21,24)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 3.60E+5 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human LDH-A by surface plasmon resonance analysis |
J Med Chem 56: 1023-40 (2013)
Article DOI: 10.1021/jm3014844 BindingDB Entry DOI: 10.7270/Q2QC04TB |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
L-lactate dehydrogenase A chain
(Homo sapiens (Human)) | BDBM50425800
![PNG](/data/jpeg/tenK5042/BindingDB_50425800.png) (CHEMBL2316887)Show SMILES COc1cc(OCC(O)CO)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O Show InChI InChI=1S/C18H19ClN2O7S/c1-27-15-5-14(28-8-11(23)7-22)12(19)4-13(15)21-16(24)9-29-17-3-2-10(6-20-17)18(25)26/h2-6,11,22-23H,7-9H2,1H3,(H,21,24)(H,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of LDH-A (unknown origin) by cell based assay |
J Med Chem 56: 1023-40 (2013)
Article DOI: 10.1021/jm3014844 BindingDB Entry DOI: 10.7270/Q2QC04TB |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |