BDBM228698 US9346810, 241

SMILES: CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC[C@@H]1CCCO1

InChI Key: InChIKey=BMYVGSNMQZIKOG-CVEARBPZSA-N

Data: 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 = 228698   

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 JAK2 (Homo sapiens (Human))	BDBM228698 (US9346810, 241) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC[C@@H]1CCCO1 Show InChI InChI=1S/C21H27N7O3S/c1-27(15-7-9-28(13-15)21-18-6-8-22-20(18)24-14-25-21)19-5-4-17(12-23-19)32(29,30)26-11-16-3-2-10-31-16/h4-6,8,12,14-16,26H,2-3,7,9-11,13H2,1H3,(H,22,24,25)/t15-,16+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0550	n/a	n/a	n/a	n/a	n/a	25
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...				US Patent US9346810 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q0X
					More data for this Ligand-Target Pair
JAK1 (aa 866-1154) (Homo sapiens (Human))	BDBM228698 (US9346810, 241) Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC[C@@H]1CCCO1 Show InChI InChI=1S/C21H27N7O3S/c1-27(15-7-9-28(13-15)21-18-6-8-22-20(18)24-14-25-21)19-5-4-17(12-23-19)32(29,30)26-11-16-3-2-10-31-16/h4-6,8,12,14-16,26H,2-3,7,9-11,13H2,1H3,(H,22,24,25)/t15-,16+/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0550	n/a	n/a	n/a	n/a	n/a	25
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...				US Patent US9346810 (2016) BindingDB Entry DOI: 10.7270/Q2XG9Q0X
					More data for this Ligand-Target Pair