BDBM112600 US8618103, I-96

SMILES: CN1CCC(CC1)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1

InChI Key: InChIKey=GKMDQFMGAVLZKR-INIZCTEOSA-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 = 112600   

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))	BDBM112600 (US8618103, I-96) Show SMILES CN1CCC(CC1)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C22H31N9O2S/c1-30-10-6-15(7-11-30)27-22-25-12-17(19-13-24-21-18(28-19)5-8-23-21)20(29-22)26-16-4-3-9-31(14-16)34(2,32)33/h5,8,12-13,15-16H,3-4,6-7,9-11,14H2,1-2H3,(H,23,24)(H2,25,26,27,29)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0125	n/a	0.0251	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))	BDBM112600 (US8618103, I-96) Show SMILES CN1CCC(CC1)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1 |r| Show InChI InChI=1S/C22H31N9O2S/c1-30-10-6-15(7-11-30)27-22-25-12-17(19-13-24-21-18(28-19)5-8-23-21)20(29-22)26-16-4-3-9-31(14-16)34(2,32)33/h5,8,12-13,15-16H,3-4,6-7,9-11,14H2,1-2H3,(H,23,24)(H2,25,26,27,29)/t16-/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	0.108	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