BDBM411513 Ethyl (R)-1-((6-(3- methylmorpholino)-2- (1H-pyrrolo[2,3-b]- pyridin-4-yl)pyrimidin-4- yl)imino)-1lambda6- thiomorpholine-4- carboxylate 1-oxide::US10392376, Example 64::US10800769, Example 64

SMILES: CCOC(=O)N1CCS(=O)(CC1)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C

InChI Key:

Data: 3 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 3 hits for monomerid = 411513   

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))	BDBM411513 (Ethyl (R)-1-((6-(3- methylmorpholino)-2- (1H-pyrro...) Show SMILES CCOC(=O)N1CCS(=O)(CC1)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Board of Regents, The University of Texas System US Patent					Assay Description Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...				US Patent US10392376 (2019) BindingDB Entry DOI: 10.7270/Q2H70J60
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM411513 (Ethyl (R)-1-((6-(3- methylmorpholino)-2- (1H-pyrro...) Show SMILES CCOC(=O)N1CCS(=O)(CC1)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Board of Regents, The University of Texas System; ChemPartner Corporation US Patent					Assay Description Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...				US Patent US10800769 (2020)
					More data for this Ligand-Target Pair
ATR/ATRIP (Homo sapiens (Human))	BDBM411513 (Ethyl (R)-1-((6-(3- methylmorpholino)-2- (1H-pyrro...) Show SMILES CCOC(=O)N1CCS(=O)(CC1)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Board of Regents, The University of Texas System; ChemPartner Corporation US Patent					Assay Description Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...				US Patent US10800769 (2020)
					More data for this Ligand-Target Pair