Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM268001'   

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))	BDBM268001 (2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfonyl)...) Show SMILES C[C@@H]1COCCN1c1cc(c2ccnc(-c3ccnn3C3CCCCO3)c2n1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H27N5O4S/c1-15-14-30-12-10-26(15)19-13-18(32(2,28)29)16-6-8-23-22(21(16)25-19)17-7-9-24-27(17)20-5-3-4-11-31-20/h6-9,13,15,20H,3-5,10-12,14H2,1-2H3/t15-,20?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.3	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
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268001 (2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfonyl)...) Show SMILES C[C@@H]1COCCN1c1cc(c2ccnc(-c3ccnn3C3CCCCO3)c2n1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H27N5O4S/c1-15-14-30-12-10-26(15)19-13-18(32(2,28)29)16-6-8-23-22(21(16)25-19)17-7-9-24-27(17)20-5-3-4-11-31-20/h6-9,13,15,20H,3-5,10-12,14H2,1-2H3/t15-,20?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.8	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
					More data for this Ligand-Target Pair