BDBM50098427 CHEMBL3593591

SMILES: C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)CC#N

InChI Key: InChIKey=XCJVKNSVUABFBO-MFKMUULPSA-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 = 50098427   

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))	BDBM50098427 (CHEMBL3593591) Show SMILES C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)CC#N |r| Show InChI InChI=1S/C17H16N6O2/c1-10-4-7-22(14(24)2-5-18)9-13(10)23-15-11-3-6-19-16(11)20-8-12(15)21-17(23)25/h3,6,8,10,13H,2,4,7,9H2,1H3/t10-,13+/m1/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method				Bioorg Med Chem 23: 4846-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.028 BindingDB Entry DOI: 10.7270/Q2SX6G04
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50098427 (CHEMBL3593591) Show SMILES C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)CC#N |r| Show InChI InChI=1S/C17H16N6O2/c1-10-4-7-22(14(24)2-5-18)9-13(10)23-15-11-3-6-19-16(11)20-8-12(15)21-17(23)25/h3,6,8,10,13H,2,4,7,9H2,1H3/t10-,13+/m1/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method				Bioorg Med Chem 23: 4846-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.028 BindingDB Entry DOI: 10.7270/Q2SX6G04
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50098427 (CHEMBL3593591) Show SMILES C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)CC#N |r| Show InChI InChI=1S/C17H16N6O2/c1-10-4-7-22(14(24)2-5-18)9-13(10)23-15-11-3-6-19-16(11)20-8-12(15)21-17(23)25/h3,6,8,10,13H,2,4,7,9H2,1H3/t10-,13+/m1/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method				Bioorg Med Chem 23: 4846-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.028 BindingDB Entry DOI: 10.7270/Q2SX6G04
					More data for this Ligand-Target Pair