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SMILES: C1CN(CCO1)c1cc(-c2cc[nH]c2)c2ccnc(-c3ccn[nH]3)c2n1

InChI Key: InChIKey=LEGFWHOZCRJNTI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 268180   

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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268180 (US10772893, Example 212 | US11529356, Example 212 ...) Show SMILES C1CN(CCO1)c1cc(-c2cc[nH]c2)c2ccnc(-c3ccn[nH]3)c2n1 Show InChI InChI=1S/C19H18N6O/c1-4-20-12-13(1)15-11-17(25-7-9-26-10-8-25)23-18-14(15)2-5-21-19(18)16-3-6-22-24-16/h1-6,11-12,20H,7-10H2,(H,22,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	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
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268180 (US10772893, Example 212 | US11529356, Example 212 ...) Show SMILES C1CN(CCO1)c1cc(-c2cc[nH]c2)c2ccnc(-c3ccn[nH]3)c2n1 Show InChI InChI=1S/C19H18N6O/c1-4-20-12-13(1)15-11-17(25-7-9-26-10-8-25)23-18-14(15)2-5-21-19(18)16-3-6-22-24-16/h1-6,11-12,20H,7-10H2,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474FQK
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268180 (US10772893, Example 212 | US11529356, Example 212 ...) Show SMILES C1CN(CCO1)c1cc(-c2cc[nH]c2)c2ccnc(-c3ccn[nH]3)c2n1 Show InChI InChI=1S/C19H18N6O/c1-4-20-12-13(1)15-11-17(25-7-9-26-10-8-25)23-18-14(15)2-5-21-19(18)16-3-6-22-24-16/h1-6,11-12,20H,7-10H2,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	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) BindingDB Entry DOI: 10.7270/Q2T43X50
					More data for this Ligand-Target Pair