BindingDB logo
myBDB logout

BDBM341715 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-((3S,5S)-3,5-dimethylpipe-ridin-1-yl)pyridin-3-yl)oxy)ethanone::US9765092, Example 1.4.20

SMILES: C[C@H]1C[C@H](C)CN(C1)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1

InChI Key: InChIKey=BUZANLPVEYBRNW-HJHDEKOOSA-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 = 341715   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341715
PNG
(1-(5-(4-Chloro-2-fluorophenyl)-2-methyl-7,8-dihydr...)
Show SMILES C[C@H]1C[C@H](C)CN(C1)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Show InChI InChI=1S/C28H29Cl2FN6O2S/c1-15-10-16(2)13-35(12-15)23-7-6-22(27(30)33-23)39-14-24(38)36-9-8-21-26(37-28(32-21)40-17(3)34-37)25(36)19-5-4-18(29)11-20(19)31/h4-7,11,15-16,25H,8-10,12-14H2,1-3H3/t15-,16-,25?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3n/an/an/an/an/an/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)


Article DOI: 10.1021/bi060173m
More data for this
Ligand-Target Pair