BDBM341399 6-chloro-5-(2-(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-oxoethoxy)-N,N-dimethylpicolinamide::US9765092, Example 1.6.25

SMILES: CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(cc2F)C2CC2)c(Cl)n1

InChI Key: InChIKey=VJSLHTLIVUJVCR-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 = 341399   

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))	BDBM341399 (6-chloro-5-(2-(5-(4-cyclopropyl-2-fluorophenyl)-2-...) Show SMILES CN(C)C(=O)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(cc2F)C2CC2)c(Cl)n1 Show InChI InChI=1S/C27H26ClFN6O3S/c1-14-32-35-24-19(31-27(35)39-14)10-11-34(23(24)17-7-6-16(12-18(17)29)15-4-5-15)22(36)13-38-21-9-8-20(30-25(21)28)26(37)33(2)3/h6-9,12,15,23H,4-5,10-11,13H2,1-3H3	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
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