Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50204707'   

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))	BDBM50204707 (CHEMBL242754 | [3-(4'-hydroxy-biphenyl-4-yl)-1,4-d...) Show SMILES OC1CCN(CC1)C(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 Show InChI InChI=1S/C28H25N3O3/c32-22-8-5-18(6-9-22)17-1-3-19(4-2-17)26-25-16-21-15-20(7-10-24(21)27(25)30-29-26)28(34)31-13-11-23(33)12-14-31/h1-10,15,23,32-33H,11-14,16H2,(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	3.60	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)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204707 (CHEMBL242754 | [3-(4'-hydroxy-biphenyl-4-yl)-1,4-d...) Show SMILES OC1CCN(CC1)C(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 Show InChI InChI=1S/C28H25N3O3/c32-22-8-5-18(6-9-22)17-1-3-19(4-2-17)26-25-16-21-15-20(7-10-24(21)27(25)30-29-26)28(34)31-13-11-23(33)12-14-31/h1-10,15,23,32-33H,11-14,16H2,(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	2.50E+4	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				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204707 (CHEMBL242754 | [3-(4'-hydroxy-biphenyl-4-yl)-1,4-d...) Show SMILES OC1CCN(CC1)C(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 Show InChI InChI=1S/C28H25N3O3/c32-22-8-5-18(6-9-22)17-1-3-19(4-2-17)26-25-16-21-15-20(7-10-24(21)27(25)30-29-26)28(34)31-13-11-23(33)12-14-31/h1-10,15,23,32-33H,11-14,16H2,(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				3D Structure (docked)