Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50255144'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50255144 (CHEMBL4079391) Show SMILES CCN([C@H]1CCCNC1)c1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r| Show InChI InChI=1S/C21H24N4OS/c1-2-25(15-9-6-10-23-12-15)21-16-11-18(14-7-4-3-5-8-14)27-19(16)17(13-24-21)20(22)26/h3-5,7-8,11,13,15,23H,2,6,9-10,12H2,1H3,(H2,22,26)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50255144 (CHEMBL4079391) Show SMILES CCN([C@H]1CCCNC1)c1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r| Show InChI InChI=1S/C21H24N4OS/c1-2-25(15-9-6-10-23-12-15)21-16-11-18(14-7-4-3-5-8-14)27-19(16)17(13-24-21)20(22)26/h3-5,7-8,11,13,15,23H,2,6,9-10,12H2,1H3,(H2,22,26)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	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