BDBM341348 2-((4-chloro-2-(dimethylamino)pyrimidin-5-yl)oxy)-1-(5-(4-chloro-2-fluorophenyl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)ethanone::US9765092, Example 1.4.40

SMILES: CN(C)c1ncc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1

InChI Key: InChIKey=SLRLWIKIBBEVQM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 341348   

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
Tryptophan 5-hydroxylase 1 (Homo sapiens (Human))	BDBM341348 (2-((4-chloro-2-(dimethylamino)pyrimidin-5-yl)oxy)-...) Show SMILES CN(C)c1ncc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1 Show InChI InChI=1S/C22H20Cl2FN7O2S/c1-11-29-32-19-15(27-22(32)35-11)6-7-31(18(19)13-5-4-12(23)8-14(13)25)17(33)10-34-16-9-26-21(30(2)3)28-20(16)24/h4-5,8-9,18H,6-7,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ACTELION PHARMACEUTICALS LTD US Patent					Assay Description To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...				US Patent US9765092 (2017) BindingDB Entry DOI: 10.7270/Q21N838B
					More data for this Ligand-Target Pair