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SMILES: OCc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12

InChI Key: InChIKey=LHVXQTSZFNKIKA-QGZVFWFLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 458933   

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 [795-1124] (Homo sapiens (Human))	BDBM458933 (US10759793, Example 78) Show SMILES OCc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H23FN8O2/c26-22-23(16-7-9-28-18(12-16)15-35)31-24(19-13-29-34-11-2-1-5-20(19)34)32-25(22)30-17-4-3-10-33(14-17)21(36)6-8-27/h1-2,5,7,9,11-13,17,35H,3-4,6,10,14-15H2,(H,30,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] ()	BDBM458933 (US10759793, Example 78) Show SMILES OCc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H23FN8O2/c26-22-23(16-7-9-28-18(12-16)15-35)31-24(19-13-29-34-11-2-1-5-20(19)34)32-25(22)30-17-4-3-10-33(14-17)21(36)6-8-27/h1-2,5,7,9,11-13,17,35H,3-4,6,10,14-15H2,(H,30,31,32)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [826-1132] (Homo sapiens (Human))	BDBM458933 (US10759793, Example 78) Show SMILES OCc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C25H23FN8O2/c26-22-23(16-7-9-28-18(12-16)15-35)31-24(19-13-29-34-11-2-1-5-20(19)34)32-25(22)30-17-4-3-10-33(14-17)21(36)6-8-27/h1-2,5,7,9,11-13,17,35H,3-4,6,10,14-15H2,(H,30,31,32)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The catalytic domains of human JAK1 (aa 850-1154), JAK2 (aa 826-1132), JAK3 (aa 795-1124) and Tyk2 (aa 871-1187) were expressed as N-terminal GST-fus...				US Patent US10759793 (2020)
					More data for this Ligand-Target Pair