null

SMILES: COc1ccc(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1

InChI Key: InChIKey=GVHNVNPBKISOIO-JOCQHMNTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50526941   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526941 (CHEMBL4459057) Show SMILES COc1ccc(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1 |r,wU:18.18,wD:15.14,(42.18,-22.41,;40.84,-21.64,;39.51,-22.42,;38.17,-21.65,;36.84,-22.42,;36.84,-23.97,;35.5,-24.73,;34.17,-23.97,;32.85,-24.73,;31.52,-23.97,;31.51,-22.42,;30.37,-21.39,;30.99,-19.99,;30.22,-18.65,;32.52,-20.15,;33.54,-19.01,;35.04,-19.33,;36.06,-18.19,;35.59,-16.73,;36.62,-15.59,;34.09,-16.41,;33.06,-17.55,;32.84,-21.65,;34.18,-22.43,;38.17,-24.74,;38.17,-26.28,;39.51,-23.97,)| Show InChI InChI=1S/C19H23N5O3/c1-11-9-14(27-2)7-8-15(11)21-18-20-10-16-17(23-18)24(19(26)22-16)12-3-5-13(25)6-4-12/h7-10,12-13,25H,3-6H2,1-2H3,(H,22,26)(H,20,21,23)/t12-,13-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526941 (CHEMBL4459057) Show SMILES COc1ccc(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1 |r,wU:18.18,wD:15.14,(42.18,-22.41,;40.84,-21.64,;39.51,-22.42,;38.17,-21.65,;36.84,-22.42,;36.84,-23.97,;35.5,-24.73,;34.17,-23.97,;32.85,-24.73,;31.52,-23.97,;31.51,-22.42,;30.37,-21.39,;30.99,-19.99,;30.22,-18.65,;32.52,-20.15,;33.54,-19.01,;35.04,-19.33,;36.06,-18.19,;35.59,-16.73,;36.62,-15.59,;34.09,-16.41,;33.06,-17.55,;32.84,-21.65,;34.18,-22.43,;38.17,-24.74,;38.17,-26.28,;39.51,-23.97,)| Show InChI InChI=1S/C19H23N5O3/c1-11-9-14(27-2)7-8-15(11)21-18-20-10-16-17(23-18)24(19(26)22-16)12-3-5-13(25)6-4-12/h7-10,12-13,25H,3-6H2,1-2H3,(H,22,26)(H,20,21,23)/t12-,13-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-induced autophosphorylation at S2056 residue preincubated for 1 hr foll...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair