BDBM50530391 CHEMBL4444169

SMILES: [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O

InChI Key: InChIKey=SYYQNYIBIFOCPS-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 = 50530391   

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))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	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 JAK1 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	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 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	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))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	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
JAK1/TYK2 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	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
JAK3/JAK1 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.25E+4	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
JAK2/JAK1 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.25E+4	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))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	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 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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 (Mus musculus)	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	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
JAK1/TYK2 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	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
JAK2/JAK1 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.25E+4	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))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	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))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	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
JAK3/JAK1 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.25E+4	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 (Mus musculus)	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	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
JAK2/TYK2 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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
JAK2/TYK2 (Homo sapiens (Human))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	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))	BDBM50530391 (CHEMBL4444169) Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	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