BindingDB logo
myBDB logout

BDBM341730 5-(6-(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)acetyl)-2-methyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-5-yl)-N,N-dimethyl-thiophene-3-carboxamide::US9765092, Example 1.9.1

SMILES: CN(C)C(=O)c1csc(c1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1

InChI Key: InChIKey=UUWYSCDCBKAABS-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 = 341730   
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))
BDBM341730
PNG
(5-(6-(2-((2-chloro-6-morpholinopyridin-3-yl)oxy)ac...)
Show SMILES CN(C)C(=O)c1csc(c1)C1N(CCc2nc3sc(C)nn3c12)C(=O)COc1ccc(nc1Cl)N1CCOCC1
Show InChI InChI=1S/C26H28ClN7O4S2/c1-15-30-34-22-17(28-26(34)40-15)6-7-33(23(22)19-12-16(14-39-19)25(36)31(2)3)21(35)13-38-18-4-5-20(29-24(18)27)32-8-10-37-11-9-32/h4-5,12,14,23H,6-11,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 5n/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