BDBM50292243 CHEMBL4164736

SMILES: COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1F

InChI Key: InChIKey=IHGGWEBRARGZIY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50292243   

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))	BDBM50292243 (CHEMBL4164736) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1F Show InChI InChI=1S/C21H25FN8O2/c1-13-10-18(28-27-13)24-17-12-19(30-8-6-29(2)7-9-30)26-21(25-17)23-14-4-5-15(16(22)11-14)20(31)32-3/h4-5,10-12H,6-9H2,1-3H3,(H3,23,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISA				Eur J Med Chem 145: 805-812 (2018) Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50292243 (CHEMBL4164736) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1F Show InChI InChI=1S/C21H25FN8O2/c1-13-10-18(28-27-13)24-17-12-19(30-8-6-29(2)7-9-30)26-21(25-17)23-14-4-5-15(16(22)11-14)20(31)32-3/h4-5,10-12H,6-9H2,1-3H3,(H3,23,24,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of AURKB (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi...				Eur J Med Chem 145: 805-812 (2018) Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM
					More data for this Ligand-Target Pair