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SMILES: OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12

InChI Key: InChIKey=XXXCCDPUSDWHLL-MRXNPFEDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 458885   

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))	BDBM458885 (US10759793, Example 37) Show SMILES OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12 Show InChI InChI=1S/C24H24FN7O3/c25-21-22(15-6-7-26-17(10-15)13-33)29-23(18-11-27-32-9-2-1-5-19(18)32)30-24(21)28-16-4-3-8-31(12-16)20(35)14-34/h1-2,5-7,9-11,16,33-34H,3-4,8,12-14H2,(H,28,29,30)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] ()	BDBM458885 (US10759793, Example 37) Show SMILES OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12 Show InChI InChI=1S/C24H24FN7O3/c25-21-22(15-6-7-26-17(10-15)13-33)29-23(18-11-27-32-9-2-1-5-19(18)32)30-24(21)28-16-4-3-8-31(12-16)20(35)14-34/h1-2,5-7,9-11,16,33-34H,3-4,8,12-14H2,(H,28,29,30)/t16-/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) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [826-1132] (Homo sapiens (Human))	BDBM458885 (US10759793, Example 37) Show SMILES OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12 Show InChI InChI=1S/C24H24FN7O3/c25-21-22(15-6-7-26-17(10-15)13-33)29-23(18-11-27-32-9-2-1-5-19(18)32)30-24(21)28-16-4-3-8-31(12-16)20(35)14-34/h1-2,5-7,9-11,16,33-34H,3-4,8,12-14H2,(H,28,29,30)/t16-/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) BindingDB Entry DOI: 10.7270/Q2QC06MG
					More data for this Ligand-Target Pair