BDBM268219 US10772893, Example 252::US9549932, 252

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

InChI Key: InChIKey=LPLWASRSTWVLQK-AETJMGKNSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 268219   

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))	BDBM268219 (US10772893, Example 252 | US9549932, 252) Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI InChI=1S/C20H16F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3/b14-13+,18-15-/t11-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.45	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))	BDBM268219 (US10772893, Example 252 | US9549932, 252) Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI InChI=1S/C20H16F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3/b14-13+,18-15-/t11-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.45	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