BDBM268233 US10772893, Example 266::US9549932, 266

SMILES: C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C)c2ccnc(-c3ccn[nH]3)c2n1

InChI Key: InChIKey=DIFYAEKRTIPQMP-LEUXAPEESA-N

Data: 2 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 268233   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ATR/ATRIP (Homo sapiens (Human))	BDBM268233 (US10772893, Example 266 | US9549932, 266) Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI InChI=1S/C20H19N7O/c1-12-11-28-8-7-27(12)18-9-15(16-10-23-25-13(16)2)14-3-5-21-20(19(14)24-18)17-4-6-22-26-17/h3-6,9-10,12H,7-8,11H2,1-2H3/b16-15+,20-17-/t12-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.31	n/a	n/a	n/a	n/a	n/a	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 US10772893 (2020)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268233 (US10772893, Example 266 | US9549932, 266) Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI InChI=1S/C20H19N7O/c1-12-11-28-8-7-27(12)18-9-15(16-10-23-25-13(16)2)14-3-5-21-20(19(14)24-18)17-4-6-22-26-17/h3-6,9-10,12H,7-8,11H2,1-2H3/b16-15+,20-17-/t12-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.31	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