BindingDB logo
myBDB logout

BDBM50022075 CHEMBL3298703

SMILES: OC(=O)C1=C(CCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1

InChI Key: InChIKey=MCKFNFNXVNTBNR-ZWKOTPCHSA-N

Data: 1 EC50

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 = 50022075   
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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50022075
PNG
(CHEMBL3298703)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 |r,t:3|
Show InChI InChI=1S/C21H21NO3/c23-20(22-19-8-4-3-7-16(19)21(24)25)18-12-17(18)15-10-9-13-5-1-2-6-14(13)11-15/h1-2,5-6,9-11,17-18H,3-4,7-8,12H2,(H,22,23)(H,24,25)/t17-,18+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.25E+4n/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Agonist activity at human HCA2 receptor expressed in Flp-In-293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem 22: 3654-69 (2014)


Article DOI: 10.1016/j.bmc.2014.05.011
BindingDB Entry DOI: 10.7270/Q21J9CCB
More data for this
Ligand-Target Pair