null

SMILES: NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1

InChI Key: InChIKey=XWCANLMOBFDTMY-FDQGKXFDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 462294   

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))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154] (Homo sapiens (Human))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124] (Homo sapiens (Human))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM462294 (US10766894, Compound TABLE 1.11 | US11203595, TABL...) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...				US Patent US10766894 (2020)
					More data for this Ligand-Target Pair