BDBM50261275 CHEMBL4093092

SMILES: CN(C)c1nc(C)cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)n1

InChI Key: InChIKey=HZLYUDCSKZIPFV-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50261275   

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))	BDBM50261275 (CHEMBL4093092) Show SMILES CN(C)c1nc(C)cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)n1 Show InChI InChI=1S/C19H17Cl2N7/c1-10-9-14(26-19(23-10)28(2)3)25-18-16-13(7-8-22-18)24-17(27-16)15-11(20)5-4-6-12(15)21/h4-9H,1-3H3,(H,24,27)(H,22,23,25,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin) assessed as reduction in IL-23 induced STAT3 phosphorylation by cell based ELISA				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50261275 (CHEMBL4093092) Show SMILES CN(C)c1nc(C)cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)n1 Show InChI InChI=1S/C19H17Cl2N7/c1-10-9-14(26-19(23-10)28(2)3)25-18-16-13(7-8-22-18)24-17(27-16)15-11(20)5-4-6-12(15)21/h4-9H,1-3H3,(H,24,27)(H,22,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) by biochemical assay				Bioorg Med Chem Lett 27: 4370-4376 (2017) Article DOI: 10.1016/j.bmcl.2017.08.022 BindingDB Entry DOI: 10.7270/Q2RF5XG8
					More data for this Ligand-Target Pair