BDBM162163 US9682995, 64

SMILES: Cc1nsc(Nc2cncc(n2)-n2cccn2)c1C(=O)Nc1ccc(F)c(F)c1

InChI Key: InChIKey=NDZSLIASDKORMP-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 = 162163   

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))	BDBM162163 (US9682995, 64) Show SMILES Cc1nsc(Nc2cncc(n2)-n2cccn2)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C18H13F2N7OS/c1-10-16(17(28)23-11-3-4-12(19)13(20)7-11)18(29-26-10)25-14-8-21-9-15(24-14)27-6-2-5-22-27/h2-9H,1H3,(H,23,28)(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40E+3	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))	BDBM162163 (US9682995, 64) Show SMILES Cc1nsc(Nc2cncc(n2)-n2cccn2)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C18H13F2N7OS/c1-10-16(17(28)23-11-3-4-12(19)13(20)7-11)18(29-26-10)25-14-8-21-9-15(24-14)27-6-2-5-22-27/h2-9H,1H3,(H,23,28)(H,24,25)	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))	BDBM162163 (US9682995, 64) Show SMILES Cc1nsc(Nc2cncc(n2)-n2cccn2)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C18H13F2N7OS/c1-10-16(17(28)23-11-3-4-12(19)13(20)7-11)18(29-26-10)25-14-8-21-9-15(24-14)27-6-2-5-22-27/h2-9H,1H3,(H,23,28)(H,24,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+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