Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM323286'   

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))	BDBM323286 (US9630956, Compound I-23 | US9630956, Compound I-5...) Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@H]2CCOC2)cc1 |r| Show InChI InChI=1S/C26H28N6O3/c1-16(2)32-14-19(7-8-24(32)33)22-13-29-26(27)25(30-22)23-11-21(31-35-23)18-5-3-17(4-6-18)12-28-20-9-10-34-15-20/h3-8,11,13-14,16,20,28H,9-10,12,15H2,1-2H3,(H2,27,29)/t20-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Incorporated US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323286 (US9630956, Compound I-23 | US9630956, Compound I-5...) Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@H]2CCOC2)cc1 |r| Show InChI InChI=1S/C26H28N6O3/c1-16(2)32-14-19(7-8-24(32)33)22-13-29-26(27)25(30-22)23-11-21(31-35-23)18-5-3-17(4-6-18)12-28-20-9-10-34-15-20/h3-8,11,13-14,16,20,28H,9-10,12,15H2,1-2H3,(H2,27,29)/t20-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Incorporated US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair