BindingDB logo
myBDB logout

BDBM50167506 CHEMBL3799132

SMILES: COc1ccc(N2CCCCC2)c(CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)c1

InChI Key: InChIKey=AIRZMZAJICAQQP-FQEVSTJZSA-N

Data: 1 IC50

PDB links: 7 PDB IDs match this monomer.

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 = 50167506   
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-hydroxylase 1


(Homo sapiens (Human))
BDBM50167506
PNG
(CHEMBL3799132)
Show SMILES COc1ccc(N2CCCCC2)c(CN\C(N)=N\C(=O)c2ccc(C[C@H](N)C(O)=O)cc2)c1
Show InChI InChI=1S/C24H31N5O4/c1-33-19-9-10-21(29-11-3-2-4-12-29)18(14-19)15-27-24(26)28-22(30)17-7-5-16(6-8-17)13-20(25)23(31)32/h5-10,14,20H,2-4,11-13,15,25H2,1H3,(H,31,32)(H3,26,27,28,30)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 26: 2855-2860 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.057
BindingDB Entry DOI: 10.7270/Q2SN0BW3
More data for this
Ligand-Target Pair