BDBM50021657 CHEMBL3297839

SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1

InChI Key InChIKey=GJDKQPDUGBQVBM-UHFFFAOYSA-N

Data  10 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50021657   

TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 363nMAssay Description:Inhibition of JAK1 (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 918nMAssay Description:Inhibition of JAK1/JAK2/TYK2 in human whole blood assessed as inhibition of IL-6-induced STAT-1 phosphorylation preincubated for 45 mins followed by ...More data for this Ligand-Target Pair
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of JAK1/TYK2 in human whole blood assessed as inhibition of IFN-alpha-induced STAT-3 phosphorylation preincubated for 45 mins followed by ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1/JAK3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 2.14E+3nMAssay Description:Inhibition of JAK1/JAK3 in human whole blood assessed as inhibition of IL-15-induced STAT-5 phosphorylation preincubated for 45 mins followed by IL-1...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of JAK3 (unknown origin)More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of TYK2 (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 1.01E+4nMAssay Description:Inhibition of JAK2/TYK2 in human whole blood assessed as inhibition of IL-23-induced STAT-3 phosphorylation preincubated for 45 mins followed by IL-2...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 1.32E+4nMAssay Description:Inhibition of JAK2 homodimer in human CD34+ cells spiked into human whole blood assessed as inhibition of EPO-induced STAT-5 phosphorylation preincub...More data for this Ligand-Target Pair
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 1.34E+4nMAssay Description:Inhibition of JAK2/TYK2 in human whole blood assessed as inhibition of IL-12-induced STAT-4 phosphorylation preincubated for 45 mins followed by IL-1...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50021657(CHEMBL3297839)
Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H25N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-2,4-7,17-18H,3,8-14H2,(H,23,24,27)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair