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SMILES: COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12

InChI Key: InChIKey=GOUWLZUXEZOFCF-MRXNPFEDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 458953   

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))	BDBM458953 (US10759793, Example 97) Show SMILES COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C22H25N7O3/c1-31-11-12-32-20-13-19(25-16-5-4-9-28(15-16)21(30)7-8-23)26-22(27-20)17-14-24-29-10-3-2-6-18(17)29/h2-3,6,10,13-14,16H,4-5,7,9,11-12,15H2,1H3,(H,25,26,27)/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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [850-1154] ()	BDBM458953 (US10759793, Example 97) Show SMILES COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C22H25N7O3/c1-31-11-12-32-20-13-19(25-16-5-4-9-28(15-16)21(30)7-8-23)26-22(27-20)17-14-24-29-10-3-2-6-18(17)29/h2-3,6,10,13-14,16H,4-5,7,9,11-12,15H2,1H3,(H,25,26,27)/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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [826-1132] (Homo sapiens (Human))	BDBM458953 (US10759793, Example 97) Show SMILES COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C22H25N7O3/c1-31-11-12-32-20-13-19(25-16-5-4-9-28(15-16)21(30)7-8-23)26-22(27-20)17-14-24-29-10-3-2-6-18(17)29/h2-3,6,10,13-14,16H,4-5,7,9,11-12,15H2,1H3,(H,25,26,27)/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)
					More data for this Ligand-Target Pair