Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50091321'   

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))	BDBM50091321 (CHEMBL3582206) Show SMILES CC(C)(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C34H60O38P6/c35-11-17-23(65-31-21(39)27(69-75(47,48)49)25(19(13-37)61-31)67-73(41,42)43)29(71-77(53,54)55)33(63-17)59-9-1-3-15-5-7-16(8-6-15)4-2-10-60-34-30(72-78(56,57)58)24(18(12-36)64-34)66-32-22(40)28(70-76(50,51)52)26(20(14-38)62-32)68-74(44,45)46/h5-8,17-40H,1-4,9-14H2,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/t17-,18-,19?,20?,21+,22+,23+,24+,25+,26+,27?,28?,29+,30+,31+,32+,33?,34?/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	10	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))	BDBM50091321 (CHEMBL3582206) Show SMILES CC(C)(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N Show InChI InChI=1S/C34H60O38P6/c35-11-17-23(65-31-21(39)27(69-75(47,48)49)25(19(13-37)61-31)67-73(41,42)43)29(71-77(53,54)55)33(63-17)59-9-1-3-15-5-7-16(8-6-15)4-2-10-60-34-30(72-78(56,57)58)24(18(12-36)64-34)66-32-22(40)28(70-76(50,51)52)26(20(14-38)62-32)68-74(44,45)46/h5-8,17-40H,1-4,9-14H2,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/t17-,18-,19?,20?,21+,22+,23+,24+,25+,26+,27?,28?,29+,30+,31+,32+,33?,34?/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	228	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