Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50204715'   

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))	BDBM50204715 (4'-(6-{[(5-methyl-pyrazin-2-ylmethyl)-amino]-methy...) Show SMILES Cc1cnc(CNCc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)cn1 Show InChI InChI=1S/C29H25N5O/c1-18-14-32-24(17-31-18)16-30-15-19-2-11-26-23(12-19)13-27-28(33-34-29(26)27)22-5-3-20(4-6-22)21-7-9-25(35)10-8-21/h2-12,14,17,30,35H,13,15-16H2,1H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation				Bioorg Med Chem 15: 2759-67 (2007) Article DOI: 10.1016/j.bmc.2007.01.012 BindingDB Entry DOI: 10.7270/Q2XS5V22
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204715 (4'-(6-{[(5-methyl-pyrazin-2-ylmethyl)-amino]-methy...) Show SMILES Cc1cnc(CNCc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)cn1 Show InChI InChI=1S/C29H25N5O/c1-18-14-32-24(17-31-18)16-30-15-19-2-11-26-23(12-19)13-27-28(33-34-29(26)27)22-5-3-20(4-6-22)21-7-9-25(35)10-8-21/h2-12,14,17,30,35H,13,15-16H2,1H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antiproliferative activity against human SW620 cells by soft agar assay				Bioorg Med Chem 15: 2759-67 (2007) Article DOI: 10.1016/j.bmc.2007.01.012 BindingDB Entry DOI: 10.7270/Q2XS5V22
					More data for this Ligand-Target Pair