BDBM113122 US8633206, 40

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=DFVBZOPVGGDURA-BZUAXINKSA-N

Data: 3 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 3 hits for monomerid = 113122   

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))	BDBM113122 (US8633206, 40) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.14,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-8-9-20-18(17)21-13-22-19)15-6-4-14(5-7-15)12-28(26,27)24-10-2-3-16(25)11-24/h8-9,13-16,25H,2-7,10-12H2,1H3,(H,20,21,22)/t14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	105	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113122 (US8633206, 40) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.14,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-8-9-20-18(17)21-13-22-19)15-6-4-14(5-7-15)12-28(26,27)24-10-2-3-16(25)11-24/h8-9,13-16,25H,2-7,10-12H2,1H3,(H,20,21,22)/t14-,15-,16-/m1/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	1.44	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113122 (US8633206, 40) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,14.14,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-8-9-20-18(17)21-13-22-19)15-6-4-14(5-7-15)12-28(26,27)24-10-2-3-16(25)11-24/h8-9,13-16,25H,2-7,10-12H2,1H3,(H,20,21,22)/t14-,15-,16-/m1/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	8.04	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair