Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50204696'   

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))	BDBM50204696 (4-(6-(morpholinomethyl)-1,4-dihydroindeno[1,2-c]py...) Show SMILES OC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN3CCOCC3)ccc-21 Show InChI InChI=1S/C22H21N3O3/c26-22(27)16-4-2-15(3-5-16)20-19-12-17-11-14(13-25-7-9-28-10-8-25)1-6-18(17)21(19)24-23-20/h1-6,11H,7-10,12-13H2,(H,23,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204696 (4-(6-(morpholinomethyl)-1,4-dihydroindeno[1,2-c]py...) Show SMILES OC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN3CCOCC3)ccc-21 Show InChI InChI=1S/C22H21N3O3/c26-22(27)16-4-2-15(3-5-16)20-19-12-17-11-14(13-25-7-9-28-10-8-25)1-6-18(17)21(19)24-23-20/h1-6,11H,7-10,12-13H2,(H,23,24)(H,26,27)	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	7.90	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))	BDBM50204696 (4-(6-(morpholinomethyl)-1,4-dihydroindeno[1,2-c]py...) Show SMILES OC(=O)c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(CN3CCOCC3)ccc-21 Show InChI InChI=1S/C22H21N3O3/c26-22(27)16-4-2-15(3-5-16)20-19-12-17-11-14(13-25-7-9-28-10-8-25)1-6-18(17)21(19)24-23-20/h1-6,11H,7-10,12-13H2,(H,23,24)(H,26,27)	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	>5.90E+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