BDBM162171 US9682995, 70

SMILES: CNC(=O)c1cncc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)n1

InChI Key: InChIKey=ZUFKUDFQVFREAV-UHFFFAOYSA-N

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 = 162171   

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))	BDBM162171 (US9682995, 70) Show SMILES CNC(=O)c1cncc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C17H14F2N6O2S/c1-8-14(16(27)22-9-3-4-10(18)11(19)5-9)17(28-25-8)24-13-7-21-6-12(23-13)15(26)20-2/h3-7H,1-2H3,(H,20,26)(H,22,27)(H,23,24)	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))	BDBM162171 (US9682995, 70) Show SMILES CNC(=O)c1cncc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C17H14F2N6O2S/c1-8-14(16(27)22-9-3-4-10(18)11(19)5-9)17(28-25-8)24-13-7-21-6-12(23-13)15(26)20-2/h3-7H,1-2H3,(H,20,26)(H,22,27)(H,23,24)	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))	BDBM162171 (US9682995, 70) Show SMILES CNC(=O)c1cncc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C17H14F2N6O2S/c1-8-14(16(27)22-9-3-4-10(18)11(19)5-9)17(28-25-8)24-13-7-21-6-12(23-13)15(26)20-2/h3-7H,1-2H3,(H,20,26)(H,22,27)(H,23,24)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+3	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