BDBM112615 US8618103, I-111

SMILES: CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1

InChI Key: InChIKey=GCRPKZFLZHBPJI-OALUTQOASA-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 = 112615   

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))	BDBM112615 (US8618103, I-111) Show SMILES CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C25H37N9O2S/c1-17(2)16-37(35,36)34-14-18(3)11-19(15-34)29-23-20(22-13-27-24-21(30-22)5-6-26-24)12-28-25(31-23)33-9-7-32(4)8-10-33/h5-6,12-13,17-19H,7-11,14-16H2,1-4H3,(H,26,27)(H,28,29,31)/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0163	n/a	0.00519	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))	BDBM112615 (US8618103, I-111) Show SMILES CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1 |r| Show InChI InChI=1S/C25H37N9O2S/c1-17(2)16-37(35,36)34-14-18(3)11-19(15-34)29-23-20(22-13-27-24-21(30-22)5-6-26-24)12-28-25(31-23)33-9-7-32(4)8-10-33/h5-6,12-13,17-19H,7-11,14-16H2,1-4H3,(H,26,27)(H,28,29,31)/t18-,19-/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	0.0838	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