null

SMILES: Clc1ccccc1Nc1ccnc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1

InChI Key: InChIKey=GOEITSRHKYIHAX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 92833   

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
Aurora kinase A (Homo sapiens (Human))	BDBM92833 (Bisanilinopyrimidine, 9f | US9249124, 49) Show SMILES Clc1ccccc1Nc1ccnc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1 Show InChI InChI=1S/C17H11ClN6O/c18-11-3-1-2-4-12(11)21-15-7-8-19-16(24-15)20-10-5-6-13-14(9-10)23-17(25)22-13/h1-9H,(H2,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center					Assay Description In vitro enzyme activity assay using Aurora Kinase A.				J Med Chem 55: 7392-416 (2012) Article DOI: 10.1021/jm300334d BindingDB Entry DOI: 10.7270/Q2V986NH
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM92833 (Bisanilinopyrimidine, 9f | US9249124, 49) Show SMILES Clc1ccccc1Nc1ccnc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1 Show InChI InChI=1S/C17H11ClN6O/c18-11-3-1-2-4-12(11)21-15-7-8-19-16(24-15)20-10-5-6-13-14(9-10)23-17(25)22-13/h1-9H,(H2,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	37
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Specifically, MDA-MB-468 cells (American Type Culture Collection) were maintained in Dulbecco's modified Eagle's medium (DMEM) plus 10% fetus bovine ...				US Patent US9249124 (2016) BindingDB Entry DOI: 10.7270/Q2J1020R
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM92833 (Bisanilinopyrimidine, 9f | US9249124, 49) Show SMILES Clc1ccccc1Nc1ccnc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1 Show InChI InChI=1S/C17H11ClN6O/c18-11-3-1-2-4-12(11)21-15-7-8-19-16(24-15)20-10-5-6-13-14(9-10)23-17(25)22-13/h1-9H,(H2,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	316	n/a	n/a	n/a	n/a	7.4	25
H. Lee Moffitt Cancer Center and Research Institute, Inc. US Patent					Assay Description Reactions were carried out at room temperature in 15 mM HEPES buffer (pH 7.4) containing 20 mM NaCl, 1 mM EGTA, 0.02% Tween 20, 10 mM MgCl2, 5% (v/v)...				US Patent US9249124 (2016) BindingDB Entry DOI: 10.7270/Q2J1020R
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM92833 (Bisanilinopyrimidine, 9f | US9249124, 49) Show SMILES Clc1ccccc1Nc1ccnc(Nc2ccc3[nH]c(=O)[nH]c3c2)n1 Show InChI InChI=1S/C17H11ClN6O/c18-11-3-1-2-4-12(11)21-15-7-8-19-16(24-15)20-10-5-6-13-14(9-10)23-17(25)22-13/h1-9H,(H2,19,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center					Assay Description In vitro enzyme activity assay using Aurora Kinase A.				J Med Chem 55: 7392-416 (2012) Article DOI: 10.1021/jm300334d BindingDB Entry DOI: 10.7270/Q2V986NH
					More data for this Ligand-Target Pair