BDBM113098 US8633206, 16

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(O)=O)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=ZPLKIQQTGHLXLQ-CMTYHBQSSA-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 = 113098   

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))	BDBM113098 (US8633206, 16) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;6,.39,;7.34,2.7,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)| Show InChI InChI=1S/C20H29N5O4S/c1-24(19-17-8-9-21-18(17)22-13-23-19)16-6-4-14(5-7-16)12-30(28,29)25-10-2-3-15(11-25)20(26)27/h8-9,13-16H,2-7,10-12H2,1H3,(H,26,27)(H,21,22,23)/t14-,15?,16-	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	74.3	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))	BDBM113098 (US8633206, 16) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;6,.39,;7.34,2.7,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)| Show InChI InChI=1S/C20H29N5O4S/c1-24(19-17-8-9-21-18(17)22-13-23-19)16-6-4-14(5-7-16)12-30(28,29)25-10-2-3-15(11-25)20(26)27/h8-9,13-16H,2-7,10-12H2,1H3,(H,26,27)(H,21,22,23)/t14-,15?,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.13	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))	BDBM113098 (US8633206, 16) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)C(O)=O)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-7.34,.38,;-6,-.39,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-2,1.92,;-.67,2.7,;.67,1.93,;-.1,.59,;1.44,.59,;2,2.7,;2,4.24,;3.33,5.01,;4.67,4.24,;4.67,2.7,;3.33,1.93,;6,1.93,;6,.39,;7.34,2.7,;-2,.38,;-3.33,-.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)| Show InChI InChI=1S/C20H29N5O4S/c1-24(19-17-8-9-21-18(17)22-13-23-19)16-6-4-14(5-7-16)12-30(28,29)25-10-2-3-15(11-25)20(26)27/h8-9,13-16H,2-7,10-12H2,1H3,(H,26,27)(H,21,22,23)/t14-,15?,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.71	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