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SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1

InChI Key: InChIKey=DJUAJWMTCKJXRM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 477066   

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 JAK1 (Homo sapiens (Human))	BDBM477066 (US10882859, Example 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM477066 (US10882859, Example 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM477066 (US10882859, Example 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0980	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM477066 (US10882859, Example 1) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H27FN6O3/c1-2-15-12-23(34)19(27)13-18(15)16-3-4-17-21(11-16)30-31-24(17)25-28-20-5-6-33(14-22(20)29-25)26(35)32-7-9-36-10-8-32/h3-4,11-13,34H,2,5-10,14H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a
TOPIVERT PHARMA LIMITED US Patent					Assay Description The biochemical JAK family enzyme binding assays carried out at DiscoveRx.				US Patent US10882859 (2021) BindingDB Entry DOI: 10.7270/Q2NZ8BQR
					More data for this Ligand-Target Pair