Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50091320'   

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))	BDBM50091320 (CHEMBL3582207) Show SMILES OC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C14H29O19P3/c1-2-3-27-14-12(33-36(24,25)26)9(6(4-15)29-14)30-13-8(17)11(32-35(21,22)23)10(7(5-16)28-13)31-34(18,19)20/h6-17H,2-5H2,1H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/t6-,7?,8+,9+,10+,11?,12+,13+,14?/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50091320 (CHEMBL3582207) Show SMILES OC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C14H29O19P3/c1-2-3-27-14-12(33-36(24,25)26)9(6(4-15)29-14)30-13-8(17)11(32-35(21,22)23)10(7(5-16)28-13)31-34(18,19)20/h6-17H,2-5H2,1H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/t6-,7?,8+,9+,10+,11?,12+,13+,14?/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	n/a	n/a	144	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of CHK1 in human HT29 cells assessed as phosphorylation of histone H3 after 24 hrs by checkpoint abrogation cellular assay				J Med Chem 58: 5053-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00464 BindingDB Entry DOI: 10.7270/Q2HD7XC5
					More data for this Ligand-Target Pair