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SMILES: CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C#N)C(N)=O

InChI Key: InChIKey=JMSBOVMQNAFXRL-WZONZLPQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 141500   

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))	BDBM141500 (US8921368, 340) Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C#N)C(N)=O |r| Show InChI InChI=1S/C23H25N7O2/c1-22(2)18(6-7-23(22,3)21(26)32)29-19-16(20(25)31)11-28-30-12-14(8-17(19)30)13-4-5-15(9-24)27-10-13/h4-5,8,10-12,18,29H,6-7H2,1-3H3,(H2,25,31)(H2,26,32)/t18-,23-/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	5.80	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))	BDBM141500 (US8921368, 340) Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(N)=O)Nc1c(cnn2cc(cc12)-c1ccc(nc1)C#N)C(N)=O |r| Show InChI InChI=1S/C23H25N7O2/c1-22(2)18(6-7-23(22,3)21(26)32)29-19-16(20(25)31)11-28-30-12-14(8-17(19)30)13-4-5-15(9-24)27-10-13/h4-5,8,10-12,18,29H,6-7H2,1-3H3,(H2,25,31)(H2,26,32)/t18-,23-/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	1	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