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SMILES: OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12

InChI Key: InChIKey=KKKGACSJOWLLJT-CYBMUJFWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 458888   

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))	BDBM458888 (US10759793, Example 40) Show SMILES OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C20H23FN6O4/c21-17-19(23-13-4-3-6-26(11-13)16(30)12-29)24-18(25-20(17)31-9-8-28)14-10-22-27-7-2-1-5-15(14)27/h1-2,5,7,10,13,28-29H,3-4,6,8-9,11-12H2,(H,23,24,25)/t13-/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] ()	BDBM458888 (US10759793, Example 40) Show SMILES OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C20H23FN6O4/c21-17-19(23-13-4-3-6-26(11-13)16(30)12-29)24-18(25-20(17)31-9-8-28)14-10-22-27-7-2-1-5-15(14)27/h1-2,5,7,10,13,28-29H,3-4,6,8-9,11-12H2,(H,23,24,25)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM458888 (US10759793, Example 40) Show SMILES OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12 Show InChI InChI=1S/C20H23FN6O4/c21-17-19(23-13-4-3-6-26(11-13)16(30)12-29)24-18(25-20(17)31-9-8-28)14-10-22-27-7-2-1-5-15(14)27/h1-2,5,7,10,13,28-29H,3-4,6,8-9,11-12H2,(H,23,24,25)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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