BDBM50195213 3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one::3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE::CHEMBL374662
SMILES: O=c1[nH]c2ccc(cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1)-c1cn[nH]c1
InChI Key: InChIKey=JRWKQEATLFJZFB-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM50195213 (3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 97 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Release of camptothecin-induced cell cycle arrest in NCI-H1299 cells mediated by CHEK1 inhibition | Bioorg Med Chem Lett 16: 5907-12 (2006) Article DOI: 10.1016/j.bmcl.2006.08.053 BindingDB Entry DOI: 10.7270/Q27H1J73 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human)) | BDBM50195213 (3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human CHEK1 | Bioorg Med Chem Lett 16: 5907-12 (2006) Article DOI: 10.1016/j.bmcl.2006.08.053 BindingDB Entry DOI: 10.7270/Q27H1J73 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |