BDBM50401440 CHEMBL2207506

SMILES: Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2cncn2C)no1

InChI Key: InChIKey=QWRJMSZUKHRINI-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50401440   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50401440 (CHEMBL2207506) Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2cncn2C)no1 Show InChI InChI=1S/C19H21BrN8O/c1-12-7-13(25-29-12)10-27-3-5-28(6-4-27)17-14(20)8-22-19-16(17)23-18(24-19)15-9-21-11-26(15)2/h7-9,11H,3-6,10H2,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to FLT3				J Med Chem 55: 8721-34 (2012) Article DOI: 10.1021/jm300952s BindingDB Entry DOI: 10.7270/Q22J6D2W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50401440 (CHEMBL2207506) Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2cncn2C)no1 Show InChI InChI=1S/C19H21BrN8O/c1-12-7-13(25-29-12)10-27-3-5-28(6-4-27)17-14(20)8-22-19-16(17)23-18(24-19)15-9-21-11-26(15)2/h7-9,11H,3-6,10H2,1-2H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to Aurora A kinase				J Med Chem 55: 8721-34 (2012) Article DOI: 10.1021/jm300952s BindingDB Entry DOI: 10.7270/Q22J6D2W
					More data for this Ligand-Target Pair				3D Structure (crystal)