BDBM120137 US8697708, 129

SMILES: CCc1cc(Nc2nccc3nc(sc23)-c2c(Cl)cc(cc2Cl)C(N)=O)ncn1

InChI Key: InChIKey=YCYAKCXIKCDMKF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 120137   

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))	BDBM120137 (US8697708, 129) Show SMILES CCc1cc(Nc2nccc3nc(sc23)-c2c(Cl)cc(cc2Cl)C(N)=O)ncn1 Show InChI InChI=1S/C19H14Cl2N6OS/c1-2-10-7-14(25-8-24-10)27-18-16-13(3-4-23-18)26-19(29-16)15-11(20)5-9(17(22)28)6-12(15)21/h3-8H,2H2,1H3,(H2,22,28)(H,23,24,25,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.60	-11.9	n/a	n/a	n/a	n/a	n/a	7.2	22
F. Hoffmann-La Roche AG US Patent					Assay Description To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...				US Patent US8697708 (2014) BindingDB Entry DOI: 10.7270/Q2J38R6F
					More data for this Ligand-Target Pair