Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM268081'   

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 ATR (Homo sapiens (Human))	BDBM268081 (4-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-2-[(3R)-3-met...) Show SMILES CCn1nc(C)cc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C27H33N7O2/c1-4-33-23(15-18(2)31-33)21-16-24(32-12-14-35-17-19(32)3)30-26-20(21)8-10-28-27(26)22-9-11-29-34(22)25-7-5-6-13-36-25/h8-11,15-16,19,25H,4-7,12-14,17H2,1-3H3/t19-,25?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.71	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
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