null

SMILES: CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccc2Cl)c2cn[nH]c2c1

InChI Key: InChIKey=VPIZBXRPGLRGBT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50536214   

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))	BDBM50536214 (CHEMBL4560212) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccc2Cl)c2cn[nH]c2c1 Show InChI InChI=1S/C21H17ClFN3O3S/c1-2-12-9-20(27)17(23)10-14(12)13-7-18-15(11-24-25-18)19(8-13)26-30(28,29)21-6-4-3-5-16(21)22/h3-11,26-27H,2H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark. Curated by ChEMBL					Assay Description Inhibition of human Gst-tagged TYK2 ( 871 to 1187 residues) expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTR...				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087 BindingDB Entry DOI: 10.7270/Q2CC146J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50536214 (CHEMBL4560212) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccc2Cl)c2cn[nH]c2c1 Show InChI InChI=1S/C21H17ClFN3O3S/c1-2-12-9-20(27)17(23)10-14(12)13-7-18-15(11-24-25-18)19(8-13)26-30(28,29)21-6-4-3-5-16(21)22/h3-11,26-27H,2H2,1H3,(H,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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark. Curated by ChEMBL					Assay Description Inhibition of human His-tagged JAK3 expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTRF assay				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087 BindingDB Entry DOI: 10.7270/Q2CC146J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50536214 (CHEMBL4560212) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccc2Cl)c2cn[nH]c2c1 Show InChI InChI=1S/C21H17ClFN3O3S/c1-2-12-9-20(27)17(23)10-14(12)13-7-18-15(11-24-25-18)19(8-13)26-30(28,29)21-6-4-3-5-16(21)22/h3-11,26-27H,2H2,1H3,(H,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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark. Curated by ChEMBL					Assay Description Inhibition of human His-tagged JAK2 expressed in baculovirus using biotin-synthetic peptide as substrate after 20 mins by HTRF assay				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087 BindingDB Entry DOI: 10.7270/Q2CC146J
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50536214 (CHEMBL4560212) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccc2Cl)c2cn[nH]c2c1 Show InChI InChI=1S/C21H17ClFN3O3S/c1-2-12-9-20(27)17(23)10-14(12)13-7-18-15(11-24-25-18)19(8-13)26-30(28,29)21-6-4-3-5-16(21)22/h3-11,26-27H,2H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark. Curated by ChEMBL					Assay Description Inhibition of JAK in human B lymphocyte cells assessed as suppression of IL4-induced STAT6 phosphorylation preincubated for 1 hr followed by IL4 addi...				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087 BindingDB Entry DOI: 10.7270/Q2CC146J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50536214 (CHEMBL4560212) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccc2Cl)c2cn[nH]c2c1 Show InChI InChI=1S/C21H17ClFN3O3S/c1-2-12-9-20(27)17(23)10-14(12)13-7-18-15(11-24-25-18)19(8-13)26-30(28,29)21-6-4-3-5-16(21)22/h3-11,26-27H,2H2,1H3,(H,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	17	n/a	n/a	n/a	n/a	n/a	n/a
Drug Design, In Vitro Biology, Skin PK and Early Safety, and Preformulation & Early Analytical Development, Global R&D, LEO Pharma A/S , Industriparken 55, DK-2750 Ballerup, Denmark. Curated by ChEMBL					Assay Description Inhibition of human Gst-tagged JAK1 (850 to 1154 residues) expressed in baculovirus using biotin-synthetic peptide as substrate after 40 mins by HTRF...				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087 BindingDB Entry DOI: 10.7270/Q2CC146J
					More data for this Ligand-Target Pair