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SMILES: Cc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

InChI Key: InChIKey=ZALLKOLNRWHMDP-QGZVFWFLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 458884   

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))	BDBM458884 (US10759793, Example 36) Show SMILES Cc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C24H24FN7O2/c1-15-7-8-16(11-26-15)22-21(25)24(28-17-5-4-9-31(13-17)20(34)14-33)30-23(29-22)18-12-27-32-10-3-2-6-19(18)32/h2-3,6-8,10-12,17,33H,4-5,9,13-14H2,1H3,(H,28,29,30)/t17-/m1/s1	PDB UniProtKB/SwissProt 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 JAK1 [850-1154] ()	BDBM458884 (US10759793, Example 36) Show SMILES Cc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C24H24FN7O2/c1-15-7-8-16(11-26-15)22-21(25)24(28-17-5-4-9-31(13-17)20(34)14-33)30-23(29-22)18-12-27-32-10-3-2-6-19(18)32/h2-3,6-8,10-12,17,33H,4-5,9,13-14H2,1H3,(H,28,29,30)/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))	BDBM458884 (US10759793, Example 36) Show SMILES Cc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C24H24FN7O2/c1-15-7-8-16(11-26-15)22-21(25)24(28-17-5-4-9-31(13-17)20(34)14-33)30-23(29-22)18-12-27-32-10-3-2-6-19(18)32/h2-3,6-8,10-12,17,33H,4-5,9,13-14H2,1H3,(H,28,29,30)/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