Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM267994'   

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))	BDBM267994 (4-(4-methanesulphonylphenyl)-2-((R)-3-methylmorpho...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(cc2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C28H31N5O4S/c1-19-18-36-16-14-32(19)25-17-23(20-6-8-21(9-7-20)38(2,34)35)22-10-12-29-28(27(22)31-25)24-11-13-30-33(24)26-5-3-4-15-37-26/h6-13,17,19,26H,3-5,14-16,18H2,1-2H3/t19-,26?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.36	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))	BDBM267994 (4-(4-methanesulphonylphenyl)-2-((R)-3-methylmorpho...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(cc2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C28H31N5O4S/c1-19-18-36-16-14-32(19)25-17-23(20-6-8-21(9-7-20)38(2,34)35)22-10-12-29-28(27(22)31-25)24-11-13-30-33(24)26-5-3-4-15-37-26/h6-13,17,19,26H,3-5,14-16,18H2,1-2H3/t19-,26?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.6	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