BDBM50435509 CHEMBL2392498

SMILES: N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12

InChI Key: InChIKey=BOSVNYKKFYBKJG-KYZUINATSA-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 = 50435509   

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))	BDBM50435509 (CHEMBL2392498) Show SMILES N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:1.0,wD:4.7,(52.74,-23.67,;51.43,-24.47,;51.46,-26.01,;50.16,-26.81,;48.81,-26.08,;48.75,-24.55,;50.07,-23.74,;47.5,-26.88,;45.98,-26.74,;45.37,-28.14,;46.51,-29.15,;46.51,-30.7,;47.84,-31.46,;49.18,-30.69,;50.65,-31.15,;51.55,-29.9,;50.63,-28.66,;49.17,-29.15,;47.83,-28.38,)| Show InChI InChI=1S/C13H16N6/c14-8-1-3-9(4-2-8)19-12-10-5-6-15-13(10)16-7-11(12)17-18-19/h5-9H,1-4,14H2,(H,15,16)/t8-,9-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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))	BDBM50435509 (CHEMBL2392498) Show SMILES N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:1.0,wD:4.7,(52.74,-23.67,;51.43,-24.47,;51.46,-26.01,;50.16,-26.81,;48.81,-26.08,;48.75,-24.55,;50.07,-23.74,;47.5,-26.88,;45.98,-26.74,;45.37,-28.14,;46.51,-29.15,;46.51,-30.7,;47.84,-31.46,;49.18,-30.69,;50.65,-31.15,;51.55,-29.9,;50.63,-28.66,;49.17,-29.15,;47.83,-28.38,)| Show InChI InChI=1S/C13H16N6/c14-8-1-3-9(4-2-8)19-12-10-5-6-15-13(10)16-7-11(12)17-18-19/h5-9H,1-4,14H2,(H,15,16)/t8-,9-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	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))	BDBM50435509 (CHEMBL2392498) Show SMILES N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:1.0,wD:4.7,(52.74,-23.67,;51.43,-24.47,;51.46,-26.01,;50.16,-26.81,;48.81,-26.08,;48.75,-24.55,;50.07,-23.74,;47.5,-26.88,;45.98,-26.74,;45.37,-28.14,;46.51,-29.15,;46.51,-30.7,;47.84,-31.46,;49.18,-30.69,;50.65,-31.15,;51.55,-29.9,;50.63,-28.66,;49.17,-29.15,;47.83,-28.38,)| Show InChI InChI=1S/C13H16N6/c14-8-1-3-9(4-2-8)19-12-10-5-6-15-13(10)16-7-11(12)17-18-19/h5-9H,1-4,14H2,(H,15,16)/t8-,9-	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	729	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