BDBM14209 4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}phenyl)-1,4-thiomorpholine-1,1-dione::pyrrolopyrimidine 32

SMILES: O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1

InChI Key: InChIKey=IADBDKSADXUIBX-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 = 14209   

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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM14209 (4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1 Show InChI InChI=1S/C21H20N6O2S/c28-30(29)13-11-26(12-14-30)18-6-4-17(5-7-18)24-21-23-15-16-8-10-27(20(16)25-21)19-3-1-2-9-22-19/h1-10,15H,11-14H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of poly(Glu:Tyr) by purified recombinant human FLT3. The extent of phospho...				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A (Mus musculus (mouse))	BDBM14209 (4-(4-{[7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1 Show InChI InChI=1S/C21H20N6O2S/c28-30(29)13-11-26(12-14-30)18-6-4-17(5-7-18)24-21-23-15-16-8-10-27(20(16)25-21)19-3-1-2-9-22-19/h1-10,15H,11-14H2,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	22
Johnson & Johnson Pharmaceutical					Assay Description The compounds were tested for their ability to inhibit the phosphorylation of serine 10 of histone-H3 by purified recombinant murine Aurora-A enzyme....				Bioorg Med Chem Lett 16: 5778-83 (2006) Article DOI: 10.1016/j.bmcl.2006.08.080 BindingDB Entry DOI: 10.7270/Q2D21VVZ
					More data for this Ligand-Target Pair