BDBM162153 US9682995, 55

SMILES: CCOC(=O)c1cnn2ccc(Nc3snc(C)c3C(=O)Nc3ccc(F)c(F)c3)nc12

InChI Key: InChIKey=LASHENSQMDRYFU-UHFFFAOYSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 162153   

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
CDK2/CycE (Homo sapiens (Human))	BDBM162153 (US9682995, 55) Show SMILES CCOC(=O)c1cnn2ccc(Nc3snc(C)c3C(=O)Nc3ccc(F)c(F)c3)nc12 Show InChI InChI=1S/C20H16F2N6O3S/c1-3-31-20(30)12-9-23-28-7-6-15(25-17(12)28)26-19-16(10(2)27-32-19)18(29)24-11-4-5-13(21)14(22)8-11/h4-9H,3H2,1-2H3,(H,24,29)(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally His6-tagged recombinant catalytic domain of human Bub1 (amino acids 704-1085), expressed in insect cells (Hi5) and purified by Ni-NTA af...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162153 (US9682995, 55) Show SMILES CCOC(=O)c1cnn2ccc(Nc3snc(C)c3C(=O)Nc3ccc(F)c(F)c3)nc12 Show InChI InChI=1S/C20H16F2N6O3S/c1-3-31-20(30)12-9-23-28-7-6-15(25-17(12)28)26-19-16(10(2)27-32-19)18(29)24-11-4-5-13(21)14(22)8-11/h4-9H,3H2,1-2H3,(H,24,29)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (aa 704-1085) (Homo sapiens (Human))	BDBM162153 (US9682995, 55) Show SMILES CCOC(=O)c1cnn2ccc(Nc3snc(C)c3C(=O)Nc3ccc(F)c(F)c3)nc12 Show InChI InChI=1S/C20H16F2N6O3S/c1-3-31-20(30)12-9-23-28-7-6-15(25-17(12)28)26-19-16(10(2)27-32-19)18(29)24-11-4-5-13(21)14(22)8-11/h4-9H,3H2,1-2H3,(H,24,29)(H,25,26)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair