BDBM50201808 CHEMBL3922588

SMILES: CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1

InChI Key: InChIKey=ZHUHRHZKZBJUHT-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50201808   

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))	BDBM50201808 (CHEMBL3922588) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1 Show InChI InChI=1S/C25H27N7O2/c1-30-12-14-31(15-13-30)20-4-2-19(3-5-20)28-25-27-10-7-21(29-25)23-16-18-17-32(24(33)6-9-26)11-8-22(18)34-23/h2-5,7,10,16H,6,8,11-15,17H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...				Bioorg Med Chem 25: 75-83 (2017) Article DOI: 10.1016/j.bmc.2016.10.011 BindingDB Entry DOI: 10.7270/Q21Z46CH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Mus musculus)	BDBM50201808 (CHEMBL3922588) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1 Show InChI InChI=1S/C25H27N7O2/c1-30-12-14-31(15-13-30)20-4-2-19(3-5-20)28-25-27-10-7-21(29-25)23-16-18-17-32(24(33)6-9-26)11-8-22(18)34-23/h2-5,7,10,16H,6,8,11-15,17H2,1H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth				Bioorg Med Chem 25: 75-83 (2017) Article DOI: 10.1016/j.bmc.2016.10.011 BindingDB Entry DOI: 10.7270/Q21Z46CH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50201808 (CHEMBL3922588) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1 Show InChI InChI=1S/C25H27N7O2/c1-30-12-14-31(15-13-30)20-4-2-19(3-5-20)28-25-27-10-7-21(29-25)23-16-18-17-32(24(33)6-9-26)11-8-22(18)34-23/h2-5,7,10,16H,6,8,11-15,17H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth				Bioorg Med Chem 25: 75-83 (2017) Article DOI: 10.1016/j.bmc.2016.10.011 BindingDB Entry DOI: 10.7270/Q21Z46CH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50201808 (CHEMBL3922588) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1 Show InChI InChI=1S/C25H27N7O2/c1-30-12-14-31(15-13-30)20-4-2-19(3-5-20)28-25-27-10-7-21(29-25)23-16-18-17-32(24(33)6-9-26)11-8-22(18)34-23/h2-5,7,10,16H,6,8,11-15,17H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...				Bioorg Med Chem 25: 75-83 (2017) Article DOI: 10.1016/j.bmc.2016.10.011 BindingDB Entry DOI: 10.7270/Q21Z46CH
					More data for this Ligand-Target Pair