BDBM113190 US8633206, 108

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=SEWNTJFAYCYCGB-UFYCRDLUSA-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 = 113190   

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))	BDBM113190 (US8633206, 108) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,14.15,(6.4,.53,;5.06,-.24,;3.73,.53,;3.73,2.07,;2.39,2.84,;1.06,2.07,;-.27,2.84,;-1.61,2.07,;-1.61,.53,;-.27,1.3,;-2.94,2.84,;-2.92,4.38,;-4.39,4.86,;-5.29,3.61,;-4.39,2.37,;-4.79,.88,;-6.27,.48,;-6.75,-.98,;-8.29,-.98,;-8.77,.48,;-7.52,1.39,;1.06,.53,;2.39,-.24,;5.06,-1.78,;3.73,-2.55,;3.73,-4.09,;5.06,-4.86,;6.4,-4.09,;7.86,-4.56,;8.77,-3.32,;7.86,-2.07,;6.4,-2.55,)| Show InChI InChI=1S/C23H36N6O2S/c1-27(23-21-10-11-24-22(21)25-17-26-23)19-8-6-18(7-9-19)16-32(30,31)29-14-4-5-20(29)15-28-12-2-3-13-28/h10-11,17-20H,2-9,12-16H2,1H3,(H,24,25,26)/t18-,19-,20-/m0/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	813	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))	BDBM113190 (US8633206, 108) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,14.15,(6.4,.53,;5.06,-.24,;3.73,.53,;3.73,2.07,;2.39,2.84,;1.06,2.07,;-.27,2.84,;-1.61,2.07,;-1.61,.53,;-.27,1.3,;-2.94,2.84,;-2.92,4.38,;-4.39,4.86,;-5.29,3.61,;-4.39,2.37,;-4.79,.88,;-6.27,.48,;-6.75,-.98,;-8.29,-.98,;-8.77,.48,;-7.52,1.39,;1.06,.53,;2.39,-.24,;5.06,-1.78,;3.73,-2.55,;3.73,-4.09,;5.06,-4.86,;6.4,-4.09,;7.86,-4.56,;8.77,-3.32,;7.86,-2.07,;6.4,-2.55,)| Show InChI InChI=1S/C23H36N6O2S/c1-27(23-21-10-11-24-22(21)25-17-26-23)19-8-6-18(7-9-19)16-32(30,31)29-14-4-5-20(29)15-28-12-2-3-13-28/h10-11,17-20H,2-9,12-16H2,1H3,(H,24,25,26)/t18-,19-,20-/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	4.73	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))	BDBM113190 (US8633206, 108) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H]2CN2CCCC2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,14.15,(6.4,.53,;5.06,-.24,;3.73,.53,;3.73,2.07,;2.39,2.84,;1.06,2.07,;-.27,2.84,;-1.61,2.07,;-1.61,.53,;-.27,1.3,;-2.94,2.84,;-2.92,4.38,;-4.39,4.86,;-5.29,3.61,;-4.39,2.37,;-4.79,.88,;-6.27,.48,;-6.75,-.98,;-8.29,-.98,;-8.77,.48,;-7.52,1.39,;1.06,.53,;2.39,-.24,;5.06,-1.78,;3.73,-2.55,;3.73,-4.09,;5.06,-4.86,;6.4,-4.09,;7.86,-4.56,;8.77,-3.32,;7.86,-2.07,;6.4,-2.55,)| Show InChI InChI=1S/C23H36N6O2S/c1-27(23-21-10-11-24-22(21)25-17-26-23)19-8-6-18(7-9-19)16-32(30,31)29-14-4-5-20(29)15-28-12-2-3-13-28/h10-11,17-20H,2-9,12-16H2,1H3,(H,24,25,26)/t18-,19-,20-/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	40.6	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