BDBM36467 2-(4-(2-Methoxyphenethylamino)-6-(methyl((S)-1-phenylethyl)amino)-1,3,5-triazin-2-ylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide::DEL-A, 8

SMILES: COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(n1)N(C)[C@@H](C)c1ccccc1

InChI Key: InChIKey=PLMYMCBEALPSII-JINQPTGOSA-N

Data: 1 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 1 hit for monomerid = 36467   

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))	BDBM36467 (2-(4-(2-Methoxyphenethylamino)-6-(methyl((S)-1-phe...) Show SMILES COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(n1)N(C)[C@@H](C)c1ccccc1 Show InChI InChI=1S/C31H35N9O2/c1-20(21-10-5-4-6-11-21)40(2)31-38-29(34-17-15-22-12-7-8-14-26(22)42-3)37-30(39-31)36-25(27(32)41)18-23-19-35-28-24(23)13-9-16-33-28/h4-14,16,19-20,25H,15,17-18H2,1-3H3,(H2,32,41)(H,33,35)(H2,34,36,37,38,39)/t20-,25?/m0/s1	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	6.30E+3	n/a	n/a	n/a	n/a	9.5	16
Praecis Pharmaceuticals					Assay Description Selection of DNA-encoded libraries (DELs) which are covalent attachment of encoding double stranded DNA to small-molecule created using a combination...				Nat Chem Biol 5: 647-54 (2009) Article DOI: 10.1038/nchembio.211 BindingDB Entry DOI: 10.7270/Q2MP51NX
					More data for this Ligand-Target Pair