BDBM50332136 (S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide::CHEMBL1287920
SMILES: NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1
InChI Key: InChIKey=CXBCJDYMIUQXNZ-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)) | BDBM50332136 ((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | 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 (docked) | ||||||||||||
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM50332136 ((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL | Assay Description Inhibition of CHK1 in human HT29 cells assessed as abrogation of camptothecin-induced G2/M phase arrest | J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Melanin-concentrating hormone receptor 2/HERG (Homo sapiens (Human)) | BDBM50332136 ((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by patch clamp assay | J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM50332136 ((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL | Assay Description Inhibition of CHK1 (unknown origin) | J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |