BDBM50392004 CHEMBL2152394

SMILES: O=C(CC#N)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12

InChI Key: InChIKey=ANCAFXHQQGVIIU-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50392004   

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 JAK1 (Homo sapiens (Human))	BDBM50392004 (CHEMBL2152394) Show SMILES O=C(CC#N)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C16H16N6O/c17-5-1-14(23)21-7-3-11(4-8-21)22-10-20-13-9-19-16-12(15(13)22)2-6-18-16/h2,6,9-11H,1,3-4,7-8H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50392004 (CHEMBL2152394) Show SMILES O=C(CC#N)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C16H16N6O/c17-5-1-14(23)21-7-3-11(4-8-21)22-10-20-13-9-19-16-12(15(13)22)2-6-18-16/h2,6,9-11H,1,3-4,7-8H2,(H,18,19)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL2-induced STAT3 phosphorylation				J Med Chem 55: 5901-21 (2012) Article DOI: 10.1021/jm300438j BindingDB Entry DOI: 10.7270/Q2DV1KZX
					More data for this Ligand-Target Pair