Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50401631'   

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))	BDBM50401631 (CHEMBL2204591) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H24FN7O/c1-14(13-30(3)4)31-22-19(10-24)26-12-21(29-22)28-20-9-18(25-2)17(11-27-20)15-6-5-7-16(23)8-15/h5-9,11-12,14H,13H2,1-4H3,(H2,25,27,28,29)/t14-/m1/s1	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401631 (CHEMBL2204591) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H24FN7O/c1-14(13-30(3)4)31-22-19(10-24)26-12-21(29-22)28-20-9-18(25-2)17(11-27-20)15-6-5-7-16(23)8-15/h5-9,11-12,14H,13H2,1-4H3,(H2,25,27,28,29)/t14-/m1/s1	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	125	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 in human HT-29 cells assessed as etoposide-induced G2 check point arrest after 21 hrs by ELISA				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair