BDBM341387 1-(5-(4-cyclopropyl-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-(trifluoromethyl)pyridin-3-yl)oxy)ethanone::US9765092, Example 1.6.13

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cccnc1C(F)(F)F)c1ccc(cc1F)C1CC1

InChI Key: InChIKey=IKCWXLWGIDOSTA-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 = 341387   

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))	BDBM341387 (1-(5-(4-cyclopropyl-2-fluorophenyl)-2-methyl-7,8-d...) Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1cccnc1C(F)(F)F)c1ccc(cc1F)C1CC1 Show InChI InChI=1S/C25H21F4N5O2S/c1-13-32-34-22-18(31-24(34)37-13)8-10-33(21(22)16-7-6-15(11-17(16)26)14-4-5-14)20(35)12-36-19-3-2-9-30-23(19)25(27,28)29/h2-3,6-7,9,11,14,21H,4-5,8,10,12H2,1H3	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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