BDBM268225 US10772893, Example 258::US9549932, 258

SMILES: C[C@@H]1COCCN1c1cc(-c2c(C)nn(C)c2C)c2ccnc(-c3ccn[nH]3)c2n1

InChI Key:

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 = 268225   

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))	BDBM268225 (US10772893, Example 258 | US9549932, 258) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(C)c2C)c2ccnc(-c3ccn[nH]3)c2n1 |r,wU:1.0,(-.67,4.52,;-2,3.75,;-3.33,4.52,;-4.67,3.75,;-4.67,2.21,;-3.33,1.44,;-2,2.21,;-.67,1.44,;-.67,-.1,;.67,-.87,;.67,-2.41,;-.58,-3.32,;-1.91,-2.55,;-.1,-4.78,;1.44,-4.78,;2.21,-6.12,;1.91,-3.32,;3.25,-2.55,;2,-.1,;3.33,-.87,;4.67,-.1,;4.67,1.44,;3.33,2.21,;3.33,3.75,;2.09,4.65,;2.56,6.12,;4.1,6.12,;4.58,4.65,;2,1.44,;.67,2.21,)| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.66	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))	BDBM268225 (US10772893, Example 258 | US9549932, 258) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(C)c2C)c2ccnc(-c3ccn[nH]3)c2n1 |r,wU:1.0,(-.67,4.52,;-2,3.75,;-3.33,4.52,;-4.67,3.75,;-4.67,2.21,;-3.33,1.44,;-2,2.21,;-.67,1.44,;-.67,-.1,;.67,-.87,;.67,-2.41,;-.58,-3.32,;-1.91,-2.55,;-.1,-4.78,;1.44,-4.78,;2.21,-6.12,;1.91,-3.32,;3.25,-2.55,;2,-.1,;3.33,-.87,;4.67,-.1,;4.67,1.44,;3.33,2.21,;3.33,3.75,;2.09,4.65,;2.56,6.12,;4.1,6.12,;4.58,4.65,;2,1.44,;.67,2.21,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.66	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