BDBM50146031 CHEMBL3763252

SMILES: CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O

InChI Key: InChIKey=NAGJVNORNVHZDU-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 = 50146031   

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 JAK3 (Homo sapiens (Human))	BDBM50146031 (CHEMBL3763252) Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50146031 (CHEMBL3763252) Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50146031 (CHEMBL3763252) Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50146031 (CHEMBL3763252) Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50146031 (CHEMBL3763252) Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...				J Med Chem 59: 733-49 (2016) BindingDB Entry DOI: 10.7270/Q2057HSH
					More data for this Ligand-Target Pair