null

SMILES: CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc3C(=O)NCc3c2)n1

InChI Key: InChIKey=ZZZCJPNLVAXXNC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 229025   

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))	BDBM229025 (US9328099, 12-7) Show SMILES CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc3C(=O)NCc3c2)n1 Show InChI InChI=1S/C24H29N7O4/c1-23(2,3)35-22(34)30-10-7-24(6-9-25,8-11-30)31-14-18(19(26)32)20(29-31)28-16-4-5-17-15(12-16)13-27-21(17)33/h4-5,12,14H,6-8,10-11,13H2,1-3H3,(H2,26,32)(H,27,33)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM229025 (US9328099, 12-7) Show SMILES CC(C)(C)OC(=O)N1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccc3C(=O)NCc3c2)n1 Show InChI InChI=1S/C24H29N7O4/c1-23(2,3)35-22(34)30-10-7-24(6-9-25,8-11-30)31-14-18(19(26)32)20(29-31)28-16-4-5-17-15(12-16)13-27-21(17)33/h4-5,12,14H,6-8,10-11,13H2,1-3H3,(H2,26,32)(H,27,33)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair