BDBM109935 US8609647, 82

SMILES: O=C(CC#N)N1CCCCC11CCCN(C1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=DHDGEXQRDYQYKP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 109935   

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 JAK3 (Homo sapiens (Human))	BDBM109935 (US8609647, 82) Show SMILES O=C(CC#N)N1CCCCC11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H22N6O/c19-8-4-15(25)24-11-2-1-6-18(24)7-3-10-23(12-18)17-14-5-9-20-16(14)21-13-22-17/h5,9,13H,1-4,6-7,10-12H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. US Patent					Assay Description In the kinase reactions, fused proteins (6His tag-fused hJAK3 kinase domain (aa781-end)) which were coexpressed in Sf21 cells and purified by Ni2+/NT...				US Patent US8609647 (2013) BindingDB Entry DOI: 10.7270/Q29C6W24
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM109935 (US8609647, 82) Show SMILES O=C(CC#N)N1CCCCC11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H22N6O/c19-8-4-15(25)24-11-2-1-6-18(24)7-3-10-23(12-18)17-14-5-9-20-16(14)21-13-22-17/h5,9,13H,1-4,6-7,10-12H2,(H,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human Lck using TK-substrate-biotin as substrate incubated for 60 mins in presence of AT...				J Med Chem 63: 7163-7185 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM109935 (US8609647, 82) Show SMILES O=C(CC#N)N1CCCCC11CCCN(C1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H22N6O/c19-8-4-15(25)24-11-2-1-6-18(24)7-3-10-23(12-18)17-14-5-9-20-16(14)21-13-22-17/h5,9,13H,1-4,6-7,10-12H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 (780 to end residues) expressed in baculovirus infected Sf9 cells using TK-substrate-biotin as substrate incubated for 60 mi...				J Med Chem 63: 7163-7185 (2020)
					More data for this Ligand-Target Pair