BDBM50435525 CHEMBL2392487

SMILES: C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1ccccc1

InChI Key: InChIKey=FTLROPWDJQBELG-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50435525   

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))	BDBM50435525 (CHEMBL2392487) Show SMILES C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1ccccc1 Show InChI InChI=1S/C19H20N6/c1-2-4-14(5-3-1)13-24-10-7-15(8-11-24)25-18-16-6-9-20-19(16)21-12-17(18)22-23-25/h1-6,9,12,15H,7-8,10-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	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 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50435525 (CHEMBL2392487) Show SMILES C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1ccccc1 Show InChI InChI=1S/C19H20N6/c1-2-4-14(5-3-1)13-24-10-7-15(8-11-24)25-18-16-6-9-20-19(16)21-12-17(18)22-23-25/h1-6,9,12,15H,7-8,10-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50435525 (CHEMBL2392487) Show SMILES C(N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12)c1ccccc1 Show InChI InChI=1S/C19H20N6/c1-2-4-14(5-3-1)13-24-10-7-15(8-11-24)25-18-16-6-9-20-19(16)21-12-17(18)22-23-25/h1-6,9,12,15H,7-8,10-11,13H2,(H,20,21)	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	121	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1-mediated STAT3 phosphorylation in IL6-induced human TF1 cells				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair