Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50332136'   

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))	BDBM50332136 ((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4OS/c20-18(24)15-11-22-19(23-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,24)(H,22,23)/t13-/m0/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting				Bioorg Med Chem Lett 20: 7216-21 (2010) Article DOI: 10.1016/j.bmcl.2010.10.105 BindingDB Entry DOI: 10.7270/Q2QV3MR6
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50332136 ((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4OS/c20-18(24)15-11-22-19(23-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,24)(H,22,23)/t13-/m0/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50332136 ((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4OS/c20-18(24)15-11-22-19(23-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,24)(H,22,23)/t13-/m0/s1	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	26	n/a	n/a	n/a	n/a
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 in human HT29 cells assessed as abrogation of camptothecin-induced G2/M phase arrest				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair				3D Structure (docked)