Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50204695'   

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))	BDBM50204695 (4'-[6-(4-Hydroxy-cyclohexylmethyl)-1,4-dihydroinde...) Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)CC1 Show InChI InChI=1S/C28H27N3O2/c32-23-8-6-20(7-9-23)19-2-4-21(5-3-19)27-26-16-22-15-18(1-10-25(22)28(26)30-29-27)17-31-13-11-24(33)12-14-31/h1-10,15,24,32-33H,11-14,16-17H2,(H,29,30)	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	2	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))	BDBM50204695 (4'-[6-(4-Hydroxy-cyclohexylmethyl)-1,4-dihydroinde...) Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)CC1 Show InChI InChI=1S/C28H27N3O2/c32-23-8-6-20(7-9-23)19-2-4-21(5-3-19)27-26-16-22-15-18(1-10-25(22)28(26)30-29-27)17-31-13-11-24(33)12-14-31/h1-10,15,24,32-33H,11-14,16-17H2,(H,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of G2/M cell population in human H1299 cells by FACS 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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204695 (4'-[6-(4-Hydroxy-cyclohexylmethyl)-1,4-dihydroinde...) Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)CC1 Show InChI InChI=1S/C28H27N3O2/c32-23-8-6-20(7-9-23)19-2-4-21(5-3-19)27-26-16-22-15-18(1-10-25(22)28(26)30-29-27)17-31-13-11-24(33)12-14-31/h1-10,15,24,32-33H,11-14,16-17H2,(H,29,30)	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	4.70E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of cell proliferation in human HeLa cells by MTS 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