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 or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50021657   

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))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	918	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay 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 ...				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay 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 ...				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1/JAK3 (Homo sapiens (Human))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay 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...				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin)				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay 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...				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 homodimer in human CD34+ cells spiked into human whole blood assessed as inhibition of EPO-induced STAT-5 phosphorylation preincub...				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay 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...				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50021657 (CHEMBL3297839) Show SMILES O=C(Nc1nc2CC=CC(c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 |c:7| 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				J Med Chem 57: 5023-38 (2014) Article DOI: 10.1021/jm401490p BindingDB Entry DOI: 10.7270/Q2ZS2Z3X
					More data for this Ligand-Target Pair