BDBM112584 US8618103, I-80

SMILES: COc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1

InChI Key: InChIKey=AVZLKLPFHIKARU-NSHDSACASA-N

Data: 1 KI  2 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 2 hits for monomerid = 112584   

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))	BDBM112584 (US8618103, I-80) Show SMILES COc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C17H21N7O3S/c1-27-17-20-8-12(14-9-19-16-13(22-14)5-6-18-16)15(23-17)21-11-4-3-7-24(10-11)28(2,25)26/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,21,23)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0136	n/a	0.0271	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM112584 (US8618103, I-80) Show SMILES COc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C17H21N7O3S/c1-27-17-20-8-12(14-9-19-16-13(22-14)5-6-18-16)15(23-17)21-11-4-3-7-24(10-11)28(2,25)26/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,21,23)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0717	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair