BDBM341728 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-6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl)oxy)ethanone::US9765092, Example 1.4.37

SMILES: Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCC(F)(F)C1)c1ccc(Cl)cc1F

InChI Key: InChIKey=SPHAKNYDVJMJHB-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 = 341728   

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))	BDBM341728 (1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...) Show SMILES Cc1nn2c3C(N(CCc3nc2s1)C(=O)COc1ccc(nc1Cl)N1CCC(F)(F)C1)c1ccc(Cl)cc1F Show InChI InChI=1S/C25H21Cl2F3N6O2S/c1-13-33-36-22-17(31-24(36)39-13)6-8-35(21(22)15-3-2-14(26)10-16(15)28)20(37)11-38-18-4-5-19(32-23(18)27)34-9-7-25(29,30)12-34/h2-5,10,21H,6-9,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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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