BDBM50402083 CHEMBL2206617

SMILES: N#CCCN1CCC(CC1)n1c(CCn2cccn2)nc2cnc3[nH]ccc3c12

InChI Key: InChIKey=NAZZHHIADOHDRQ-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 = 50402083   

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))	BDBM50402083 (CHEMBL2206617) Show SMILES N#CCCN1CCC(CC1)n1c(CCn2cccn2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C21H24N8/c22-7-1-10-27-12-4-16(5-13-27)29-19(6-14-28-11-2-8-25-28)26-18-15-24-21-17(20(18)29)3-9-23-21/h2-3,8-9,11,15-16H,1,4-6,10,12-14H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402083 (CHEMBL2206617) Show SMILES N#CCCN1CCC(CC1)n1c(CCn2cccn2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C21H24N8/c22-7-1-10-27-12-4-16(5-13-27)29-19(6-14-28-11-2-8-25-28)26-18-15-24-21-17(20(18)29)3-9-23-21/h2-3,8-9,11,15-16H,1,4-6,10,12-14H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair