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SMILES: CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nc2ccccc2nc1C

InChI Key: InChIKey=HEPKYIFTUOSRSG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 162102   

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
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM162102 (US9682995, 21) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nc2ccccc2nc1C Show InChI InChI=1S/C22H21N5OS/c1-4-15-9-5-6-10-16(15)25-21(28)19-13(2)27-29-22(19)26-20-14(3)23-17-11-7-8-12-18(17)24-20/h5-12H,4H2,1-3H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt 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))	BDBM162102 (US9682995, 21) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nc2ccccc2nc1C Show InChI InChI=1S/C22H21N5OS/c1-4-15-9-5-6-10-16(15)25-21(28)19-13(2)27-29-22(19)26-20-14(3)23-17-11-7-8-12-18(17)24-20/h5-12H,4H2,1-3H3,(H,24,26)(H,25,28)	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 [704-1085] (Homo sapiens (Human))	BDBM162102 (US9682995, 21) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nc2ccccc2nc1C Show InChI InChI=1S/C22H21N5OS/c1-4-15-9-5-6-10-16(15)25-21(28)19-13(2)27-29-22(19)26-20-14(3)23-17-11-7-8-12-18(17)24-20/h5-12H,4H2,1-3H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt 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