BDBM50332173 (S)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide::2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide::CHEMBL1231626
SMILES: NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(Cl)cc1
InChI Key: InChIKey=QTBPGDBHORPJSA-ZDUSSCGKSA-N
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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Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM50332173 ((S)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thie...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting | Bioorg Med Chem Lett 20: 7216-21 (2010) Article DOI: 10.1016/j.bmcl.2010.10.105 BindingDB Entry DOI: 10.7270/Q2QV3MR6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |