BDBM24152 3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido::thiophene containing compound, 15
SMILES: CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
InChI Key: InChIKey=NZTHBWHANVWSRX-UHFFFAOYSA-N
Data: 1 IC50
PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
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Kinesin Spindle Protein Eg5 (Homo sapiens (Human)) | BDBM24152 (3-N,3-N-diethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Kalypsys, Inc. | Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS... | Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |