BDBM341648 6-chloro-5-(2-(5-(3-fluorothiophen-2-yl)-7,8-dihydro-thiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)-2-oxoethoxy)-N,N-dimethylpicolinamide::US9765092, Example 6.8.2

SMILES: CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sccn4c3C2c2sccc2F)c(Cl)n1

InChI Key: InChIKey=KAYDRBVDKYSCQI-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341648   

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))	BDBM341648 (6-chloro-5-(2-(5-(3-fluorothiophen-2-yl)-7,8-dihyd...) Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sccn4c3C2c2sccc2F)c(Cl)n1 Show InChI InChI=1S/C22H19ClFN5O3S2/c1-27(2)21(31)14-3-4-15(20(23)25-14)32-11-16(30)28-7-5-13-17(29-8-10-34-22(29)26-13)18(28)19-12(24)6-9-33-19/h3-4,6,8-10,18H,5,7,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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