BDBM113112 US8633206, 30

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=QIGAJELHFWOHDE-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 = 113112   

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))	BDBM113112 (US8633206, 30) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(-7.01,.49,;-5.67,-.28,;-4.34,.49,;-3.01,-.28,;-1.67,.49,;-1.67,2.03,;-.34,2.8,;.99,2.03,;.22,.69,;1.76,.69,;2.33,2.8,;2.33,4.34,;3.79,4.81,;4.7,3.57,;6.24,3.57,;7.01,4.9,;3.79,2.32,;-3.01,2.8,;-4.34,2.03,;-5.67,-1.82,;-7.01,-2.59,;-7.01,-4.13,;-5.67,-4.9,;-4.34,-4.13,;-2.88,-4.61,;-1.97,-3.36,;-2.88,-2.12,;-4.34,-2.59,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-6-8-20-18(17)21-13-22-19)16-4-2-14(3-5-16)12-28(26,27)24-9-7-15(10-24)11-25/h6,8,13-16,25H,2-5,7,9-12H2,1H3,(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	112	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))	BDBM113112 (US8633206, 30) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(-7.01,.49,;-5.67,-.28,;-4.34,.49,;-3.01,-.28,;-1.67,.49,;-1.67,2.03,;-.34,2.8,;.99,2.03,;.22,.69,;1.76,.69,;2.33,2.8,;2.33,4.34,;3.79,4.81,;4.7,3.57,;6.24,3.57,;7.01,4.9,;3.79,2.32,;-3.01,2.8,;-4.34,2.03,;-5.67,-1.82,;-7.01,-2.59,;-7.01,-4.13,;-5.67,-4.9,;-4.34,-4.13,;-2.88,-4.61,;-1.97,-3.36,;-2.88,-2.12,;-4.34,-2.59,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-6-8-20-18(17)21-13-22-19)16-4-2-14(3-5-16)12-28(26,27)24-9-7-15(10-24)11-25/h6,8,13-16,25H,2-5,7,9-12H2,1H3,(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	3.06	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))	BDBM113112 (US8633206, 30) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.13,wD:2.1,(-7.01,.49,;-5.67,-.28,;-4.34,.49,;-3.01,-.28,;-1.67,.49,;-1.67,2.03,;-.34,2.8,;.99,2.03,;.22,.69,;1.76,.69,;2.33,2.8,;2.33,4.34,;3.79,4.81,;4.7,3.57,;6.24,3.57,;7.01,4.9,;3.79,2.32,;-3.01,2.8,;-4.34,2.03,;-5.67,-1.82,;-7.01,-2.59,;-7.01,-4.13,;-5.67,-4.9,;-4.34,-4.13,;-2.88,-4.61,;-1.97,-3.36,;-2.88,-2.12,;-4.34,-2.59,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-6-8-20-18(17)21-13-22-19)16-4-2-14(3-5-16)12-28(26,27)24-9-7-15(10-24)11-25/h6,8,13-16,25H,2-5,7,9-12H2,1H3,(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	8.36	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