BDBM113204 US8633206, 122

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C#N)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=OUPJGYCCBFKVNB-KESTWPANSA-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 = 113204   

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 JAK1 (Homo sapiens (Human))	BDBM113204 (US8633206, 122) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.82,-.77,;5.48,-1.54,;4.15,-.77,;4.15,.77,;2.82,1.54,;1.48,.77,;.15,1.54,;-1.18,.77,;-1.18,-.77,;.15,,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-6.52,3.85,;-6.52,5.39,;-7.85,6.16,;-9.19,5.39,;-9.19,3.85,;-7.85,3.08,;-7.85,1.54,;-7.85,,;1.48,-.77,;2.82,-1.54,;5.48,-3.08,;4.15,-3.85,;4.15,-5.39,;5.48,-6.16,;6.82,-5.39,;8.28,-5.87,;9.19,-4.62,;8.28,-3.37,;6.82,-3.85,)| Show InChI InChI=1S/C24H30N8O2S/c1-30(24-21-8-10-26-22(21)28-17-29-24)20-6-4-18(5-7-20)16-35(33,34)32-13-11-31(12-14-32)23-19(15-25)3-2-9-27-23/h2-3,8-10,17-18,20H,4-7,11-14,16H2,1H3,(H,26,28,29)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.1	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))	BDBM113204 (US8633206, 122) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.82,-.77,;5.48,-1.54,;4.15,-.77,;4.15,.77,;2.82,1.54,;1.48,.77,;.15,1.54,;-1.18,.77,;-1.18,-.77,;.15,,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-6.52,3.85,;-6.52,5.39,;-7.85,6.16,;-9.19,5.39,;-9.19,3.85,;-7.85,3.08,;-7.85,1.54,;-7.85,,;1.48,-.77,;2.82,-1.54,;5.48,-3.08,;4.15,-3.85,;4.15,-5.39,;5.48,-6.16,;6.82,-5.39,;8.28,-5.87,;9.19,-4.62,;8.28,-3.37,;6.82,-3.85,)| Show InChI InChI=1S/C24H30N8O2S/c1-30(24-21-8-10-26-22(21)28-17-29-24)20-6-4-18(5-7-20)16-35(33,34)32-13-11-31(12-14-32)23-19(15-25)3-2-9-27-23/h2-3,8-10,17-18,20H,4-7,11-14,16H2,1H3,(H,26,28,29)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17.6	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM113204 (US8633206, 122) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(CC2)c2ncccc2C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.82,-.77,;5.48,-1.54,;4.15,-.77,;4.15,.77,;2.82,1.54,;1.48,.77,;.15,1.54,;-1.18,.77,;-1.18,-.77,;.15,,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-6.52,3.85,;-6.52,5.39,;-7.85,6.16,;-9.19,5.39,;-9.19,3.85,;-7.85,3.08,;-7.85,1.54,;-7.85,,;1.48,-.77,;2.82,-1.54,;5.48,-3.08,;4.15,-3.85,;4.15,-5.39,;5.48,-6.16,;6.82,-5.39,;8.28,-5.87,;9.19,-4.62,;8.28,-3.37,;6.82,-3.85,)| Show InChI InChI=1S/C24H30N8O2S/c1-30(24-21-8-10-26-22(21)28-17-29-24)20-6-4-18(5-7-20)16-35(33,34)32-13-11-31(12-14-32)23-19(15-25)3-2-9-27-23/h2-3,8-10,17-18,20H,4-7,11-14,16H2,1H3,(H,26,28,29)/t18-,20-	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	271	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