BDBM50400037 CHEMBL2177733::US9169259, I-5

SMILES: CC1CCCN1c1cccc(Nc2cc(nn3ccnc23)-c2ccccc2)n1

InChI Key: InChIKey=OLNOLIZABHZSEW-UHFFFAOYSA-N

Data: 2 IC50

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 = 50400037   

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
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50400037 (CHEMBL2177733 | US9169259, I-5) Show SMILES CC1CCCN1c1cccc(Nc2cc(nn3ccnc23)-c2ccccc2)n1 Show InChI InChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant spleen tyrosine kinase (360 to 635 amino acid residues) after 10 mins by scintillation counting analysis				J Med Chem 55: 10414-23 (2012) Article DOI: 10.1021/jm301367c BindingDB Entry DOI: 10.7270/Q2057H23
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM50400037 (CHEMBL2177733 | US9169259, I-5) Show SMILES CC1CCCN1c1cccc(Nc2cc(nn3ccnc23)-c2ccccc2)n1 Show InChI InChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 um filter plates (Millipore Cat. No.: MADVNOB10)Streptavidin coated beads: Streptavidin Sepharose, suspension ...				US Patent US9169259 (2015) BindingDB Entry DOI: 10.7270/Q2H130S2
					More data for this Ligand-Target Pair				3D Structure (crystal)