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SMILES: C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(=O)(=O)c4ccc(Cl)cc4)cc23)C(N)=O)C1(C)C

InChI Key: InChIKey=XWMFFRNMXBNADT-XMSQKQJNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 141451   

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))	BDBM141451 (US8921368, 23) Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(=O)(=O)c4ccc(Cl)cc4)cc23)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H26ClN5O4S/c1-21(2)18(8-9-22(21,3)30)26-19-16(20(24)29)11-25-28-12-14(10-17(19)28)27-33(31,32)15-6-4-13(23)5-7-15/h4-7,10-12,18,26-27,30H,8-9H2,1-3H3,(H2,24,29)/t18-,22-/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	259	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141451 (US8921368, 23) Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(=O)(=O)c4ccc(Cl)cc4)cc23)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C22H26ClN5O4S/c1-21(2)18(8-9-22(21,3)30)26-19-16(20(24)29)11-25-28-12-14(10-17(19)28)27-33(31,32)15-6-4-13(23)5-7-15/h4-7,10-12,18,26-27,30H,8-9H2,1-3H3,(H2,24,29)/t18-,22-/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	23.4	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair