BDBM112566 US8618103, I-62

SMILES: CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]cc(C3CC3)c2n1

InChI Key: InChIKey=MXDGOCGSIURVTR-AWEZNQCLSA-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 = 112566   

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))	BDBM112566 (US8618103, I-62) Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]cc(C3CC3)c2n1 |r| Show InChI InChI=1S/C20H24N6O2S/c1-29(27,28)26-9-3-4-14(12-26)24-19-15(5-2-8-21-19)17-11-23-20-18(25-17)16(10-22-20)13-6-7-13/h2,5,8,10-11,13-14H,3-4,6-7,9,12H2,1H3,(H,21,24)(H,22,23)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0107	n/a	0.0215	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))	BDBM112566 (US8618103, I-62) Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]cc(C3CC3)c2n1 |r| Show InChI InChI=1S/C20H24N6O2S/c1-29(27,28)26-9-3-4-14(12-26)24-19-15(5-2-8-21-19)17-11-23-20-18(25-17)16(10-22-20)13-6-7-13/h2,5,8,10-11,13-14H,3-4,6-7,9,12H2,1H3,(H,21,24)(H,22,23)/t14-/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	0.0384	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