BDBM50536220 CHEMBL4528395

SMILES: CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccn2)c2cn[nH]c2c1

InChI Key: InChIKey=JQMWMVMZFDEDHI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50536220   

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 JAK2 (Homo sapiens (Human))	BDBM50536220 (CHEMBL4528395) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C20H17FN4O3S/c1-2-12-9-19(26)16(21)10-14(12)13-7-17-15(11-23-24-17)18(8-13)25-29(27,28)20-5-3-4-6-22-20/h3-11,25-26H,2H2,1H3,(H,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	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 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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50536220 (CHEMBL4528395) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C20H17FN4O3S/c1-2-12-9-19(26)16(21)10-14(12)13-7-17-15(11-23-24-17)18(8-13)25-29(27,28)20-5-3-4-6-22-20/h3-11,25-26H,2H2,1H3,(H,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	30	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
					More data for this Ligand-Target Pair
Janus Kinase (JAK) (Homo sapiens (Human))	BDBM50536220 (CHEMBL4528395) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C20H17FN4O3S/c1-2-12-9-19(26)16(21)10-14(12)13-7-17-15(11-23-24-17)18(8-13)25-29(27,28)20-5-3-4-6-22-20/h3-11,25-26H,2H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+3	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
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50536220 (CHEMBL4528395) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C20H17FN4O3S/c1-2-12-9-19(26)16(21)10-14(12)13-7-17-15(11-23-24-17)18(8-13)25-29(27,28)20-5-3-4-6-22-20/h3-11,25-26H,2H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50536220 (CHEMBL4528395) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2ccccn2)c2cn[nH]c2c1 Show InChI InChI=1S/C20H17FN4O3S/c1-2-12-9-19(26)16(21)10-14(12)13-7-17-15(11-23-24-17)18(8-13)25-29(27,28)20-5-3-4-6-22-20/h3-11,25-26H,2H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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
					More data for this Ligand-Target Pair