BDBM341726 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)-2-(2-chloro-4-cyclopropylphenoxy)-ethanone::US9765092, Example 1.4.34

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(cc1Cl)C1CC1)c1ccc(Cl)cc1F

InChI Key: InChIKey=WZYAMAYPTOFPCD-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 = 341726   

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))	BDBM341726 (1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...) Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(cc1Cl)C1CC1)c1ccc(Cl)cc1F Show InChI InChI=1S/C25H21Cl2FN4O2S/c1-13-30-32-24-20(29-25(32)35-13)8-9-31(23(24)17-6-5-16(26)11-19(17)28)22(33)12-34-21-7-4-15(10-18(21)27)14-2-3-14/h4-7,10-11,14,23H,2-3,8-9,12H2,1H3	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
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