BDBM50121388 CHEMBL3622140

SMILES: CCN(C(C)C)C(=O)c1cc2c(nc(NC)c3ncn(C)c23)n1C[C@H](O)CO

InChI Key: InChIKey=ZGAVFQNBUNSEFY-LBPRGKRZSA-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 = 50121388   

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 JAK2 (Homo sapiens (Human))	BDBM50121388 (CHEMBL3622140) Show SMILES CCN(C(C)C)C(=O)c1cc2c(nc(NC)c3ncn(C)c23)n1C[C@H](O)CO |r| Show InChI InChI=1S/C19H28N6O3/c1-6-24(11(2)3)19(28)14-7-13-16-15(21-10-23(16)5)17(20-4)22-18(13)25(14)8-12(27)9-26/h7,10-12,26-27H,6,8-9H2,1-5H3,(H,20,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assay				ACS Med Chem Lett 6: 845-9 (2015) BindingDB Entry DOI: 10.7270/Q2Q2421M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50121388 (CHEMBL3622140) Show SMILES CCN(C(C)C)C(=O)c1cc2c(nc(NC)c3ncn(C)c23)n1C[C@H](O)CO |r| Show InChI InChI=1S/C19H28N6O3/c1-6-24(11(2)3)19(28)14-7-13-16-15(21-10-23(16)5)17(20-4)22-18(13)25(14)8-12(27)9-26/h7,10-12,26-27H,6,8-9H2,1-5H3,(H,20,22)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Inhibition of recombinant JAK3 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assay				ACS Med Chem Lett 6: 845-9 (2015) BindingDB Entry DOI: 10.7270/Q2Q2421M
					More data for this Ligand-Target Pair