null

SMILES: Cc1c(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)ccc2nccn12

InChI Key: InChIKey=AUEPFFWQHMGXEB-HDJSIYSDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50526935   

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))	BDBM50526935 (CHEMBL4529390) Show SMILES Cc1c(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)ccc2nccn12 |r,wU:16.16,wD:13.12,(36.89,-53.69,;38.22,-54.46,;38.22,-55.99,;36.88,-56.76,;35.56,-55.99,;34.23,-56.76,;32.89,-56,;32.89,-54.45,;31.74,-53.41,;30.24,-53.73,;32.37,-52,;31.6,-50.67,;33.9,-52.16,;34.92,-51.01,;36.43,-51.33,;37.45,-50.2,;36.98,-48.73,;38.01,-47.6,;35.48,-48.41,;34.44,-49.56,;34.23,-53.67,;35.57,-54.45,;39.55,-56.77,;40.89,-56.01,;40.89,-54.46,;42.04,-53.42,;41.4,-52.01,;39.87,-52.18,;39.55,-53.69,)| Show InChI InChI=1S/C20H23N7O2/c1-12-15(7-8-17-21-9-10-26(12)17)23-19-22-11-16-18(24-19)27(20(29)25(16)2)13-3-5-14(28)6-4-13/h7-11,13-14,28H,3-6H2,1-2H3,(H,22,23,24)/t13-,14-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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))	BDBM50526935 (CHEMBL4529390) Show SMILES Cc1c(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)ccc2nccn12 |r,wU:16.16,wD:13.12,(36.89,-53.69,;38.22,-54.46,;38.22,-55.99,;36.88,-56.76,;35.56,-55.99,;34.23,-56.76,;32.89,-56,;32.89,-54.45,;31.74,-53.41,;30.24,-53.73,;32.37,-52,;31.6,-50.67,;33.9,-52.16,;34.92,-51.01,;36.43,-51.33,;37.45,-50.2,;36.98,-48.73,;38.01,-47.6,;35.48,-48.41,;34.44,-49.56,;34.23,-53.67,;35.57,-54.45,;39.55,-56.77,;40.89,-56.01,;40.89,-54.46,;42.04,-53.42,;41.4,-52.01,;39.87,-52.18,;39.55,-53.69,)| Show InChI InChI=1S/C20H23N7O2/c1-12-15(7-8-17-21-9-10-26(12)17)23-19-22-11-16-18(24-19)27(20(29)25(16)2)13-3-5-14(28)6-4-13/h7-11,13-14,28H,3-6H2,1-2H3,(H,22,23,24)/t13-,14-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	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