BDBM267996 4-(3-methanesulphonylphenyl)-2-((R)-3-methylmorpholin-4-yl)-8-(2H-pyrazol-3-yl)-[1,7]naphthyridine::US9549932, 28

SMILES: C[C@@H]1COCCN1c1cc(-c2cccc(c2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1

InChI Key: InChIKey=HCGNMEBUIBSLOB-ICCFGIFFSA-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 = 267996   

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))	BDBM267996 (4-(3-methanesulphonylphenyl)-2-((R)-3-methylmorpho...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cccc(c2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C28H31N5O4S/c1-19-18-36-15-13-32(19)25-17-23(20-6-5-7-21(16-20)38(2,34)35)22-9-11-29-28(27(22)31-25)24-10-12-30-33(24)26-8-3-4-14-37-26/h5-7,9-12,16-17,19,26H,3-4,8,13-15,18H2,1-2H3/t19-,26?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM267996 (4-(3-methanesulphonylphenyl)-2-((R)-3-methylmorpho...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cccc(c2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C28H31N5O4S/c1-19-18-36-15-13-32(19)25-17-23(20-6-5-7-21(16-20)38(2,34)35)22-9-11-29-28(27(22)31-25)24-10-12-30-33(24)26-8-3-4-14-37-26/h5-7,9-12,16-17,19,26H,3-4,8,13-15,18H2,1-2H3/t19-,26?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.6	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