Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50204721'   

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))	BDBM50204721 (4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYD...) Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,wD:1.0,(16.02,-1.77,;17.35,-1,;18.68,-1.78,;20.03,-1.01,;20.03,.52,;18.69,1.3,;17.36,.53,;21.36,1.29,;22.7,.52,;24.03,1.29,;24.03,2.83,;25.36,3.6,;26.69,2.84,;26.69,1.29,;28.17,.81,;29.08,2.05,;30.56,2.53,;30.57,4.09,;29.08,4.57,;28.17,3.32,;31.8,1.63,;31.64,.1,;32.88,-.81,;34.29,-.18,;34.45,1.36,;33.2,2.26,;35.54,-1.08,;36.94,-.46,;35.38,-2.62,;25.36,.52,)| Show InChI InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)/t15-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204721 (4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYD...) Show SMILES C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,wD:1.0,(16.02,-1.77,;17.35,-1,;18.68,-1.78,;20.03,-1.01,;20.03,.52,;18.69,1.3,;17.36,.53,;21.36,1.29,;22.7,.52,;24.03,1.29,;24.03,2.83,;25.36,3.6,;26.69,2.84,;26.69,1.29,;28.17,.81,;29.08,2.05,;30.56,2.53,;30.57,4.09,;29.08,4.57,;28.17,3.32,;31.8,1.63,;31.64,.1,;32.88,-.81,;34.29,-.18,;34.45,1.36,;33.2,2.26,;35.54,-1.08,;36.94,-.46,;35.38,-2.62,;25.36,.52,)| Show InChI InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)/t15-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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				3D Structure (docked)