BDBM50536208 CHEMBL4483364

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

InChI Key: InChIKey=JCTMSESLEAUMIV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50536208   

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
Janus Kinase (JAK) (Homo sapiens (Human))	BDBM50536208 (CHEMBL4483364) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50536208 (CHEMBL4483364) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	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 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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50536208 (CHEMBL4483364) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	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 JAK3 (Homo sapiens (Human))	BDBM50536208 (CHEMBL4483364) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)	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	2.5	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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50536208 (CHEMBL4483364) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50536208 (CHEMBL4483364) Show SMILES CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1 Show InChI InChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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 Binding affinity to human ERG				ACS Med Chem Lett 7: 641-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00087
					More data for this Ligand-Target Pair