Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM267995'   

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))	BDBM267995 (2-((R)-3-methylmorpholin-4-yl)-4-phenyl-8-(2H-pyra...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C27H29N5O2/c1-19-18-33-16-14-31(19)24-17-22(20-7-3-2-4-8-20)21-10-12-28-27(26(21)30-24)23-11-13-29-32(23)25-9-5-6-15-34-25/h2-4,7-8,10-13,17,19,25H,5-6,9,14-16,18H2,1H3/t19-,25?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	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))	BDBM267995 (2-((R)-3-methylmorpholin-4-yl)-4-phenyl-8-(2H-pyra...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C27H29N5O2/c1-19-18-33-16-14-31(19)24-17-22(20-7-3-2-4-8-20)21-10-12-28-27(26(21)30-24)23-11-13-29-32(23)25-9-5-6-15-34-25/h2-4,7-8,10-13,17,19,25H,5-6,9,14-16,18H2,1H3/t19-,25?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.2	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