BDBM50530383 CHEMBL4530719

SMILES: CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O

InChI Key: InChIKey=KTGJVACKWAPPPX-UHFFFAOYSA-N

Data: 20 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 20 hits for monomerid = 50530383   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [5-1181] (Mus musculus)	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2 JH2 domain in mouse whole blood assessed as inhibition of IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by...				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [5-1181] (Mus musculus)	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2 JH2 domain in mouse whole blood assessed as inhibition of IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by...				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2/JAK2 in IL23-stimulated human Kit225 cells by steady-glo luciferase assay				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK2 JH1 domain (unknown origin)				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1/JAK3 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK3 (unknown origin) in IL-2 stimulated cells by cell based assay				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2 JH1 domain (unknown origin)				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2 JH1 domain (unknown origin)				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK2 JH1 domain (unknown origin)				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2/JAK2 in IL23-stimulated human Kit225 cells by steady-glo luciferase assay				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1/JAK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK1 JH1 domain (unknown origin)				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1/JAK3 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK3 (unknown origin) in IL-2 stimulated cells by cell based assay				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK1 JH1 domain (unknown origin)				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1/JAK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK2 (unknown origin) in GM-CSF stimulated cells by cell based assay				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2 JH2 domain in human whole blood assessed as inhibition of IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by...				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50530383 (CHEMBL4530719) Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Show InChI InChI=1S/C18H16FN5O3S/c1-28(26,27)15-5-3-2-4-13(15)23-14-8-17(22-10-12(14)18(20)25)24-16-7-6-11(19)9-21-16/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TYK2 JH2 domain in human whole blood assessed as inhibition of IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by...				J Med Chem 62: 8953-8972 (2019) Article DOI: 10.1021/acs.jmedchem.9b00443
					More data for this Ligand-Target Pair