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BDBM50373815 CHEMBL401756

SMILES: C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)Nc1ncnc2c(C)csc12

InChI Key: InChIKey=RVGLLHXKXVRALG-KRWDZBQOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50373815   
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
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50373815
PNG
(CHEMBL401756)
Show SMILES C[C@@H](CN1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)Nc1ncnc2c(C)csc12
Show InChI InChI=1S/C21H27N5O2S2/c1-15-4-6-18(7-5-15)30(27,28)26-10-8-25(9-11-26)12-17(3)24-21-20-19(22-14-23-21)16(2)13-29-20/h4-7,13-14,17H,8-12H2,1-3H3,(H,22,23,24)/t17-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 expressed in RH7777 cells with Gi4-protein and aequorin by calcium mobilization assay


Bioorg Med Chem Lett 18: 1037-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.024
BindingDB Entry DOI: 10.7270/Q2JQ11W8
More data for this
Ligand-Target Pair