Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM268086'   

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))	BDBM268086 (4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-[...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cnc3CCCn23)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C27H31N7O2/c1-18-17-35-14-12-32(18)24-15-20(22-16-29-23-5-4-11-33(22)23)19-7-9-28-27(26(19)31-24)21-8-10-30-34(21)25-6-2-3-13-36-25/h7-10,15-16,18,25H,2-6,11-14,17H2,1H3/t18-,25?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.1	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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