BindingDB logo
myBDB logout

BDBM50232768 CHEMBL4068256

SMILES: CCCCN(C)Cc1c2O\C(=C/c3cc4cc(Br)ccc4o3)C(=O)c2c(C)cc1O

InChI Key: InChIKey=VRUUNMIPXBSLSV-MTJSOVHGSA-N

Data: 1 Kd

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 = 50232768   
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
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50232768
PNG
(CHEMBL4068256)
Show SMILES CCCCN(C)Cc1c2O\C(=C/c3cc4cc(Br)ccc4o3)C(=O)c2c(C)cc1O
Show InChI InChI=1S/C24H24BrNO4/c1-4-5-8-26(3)13-18-19(27)9-14(2)22-23(28)21(30-24(18)22)12-17-11-15-10-16(25)6-7-20(15)29-17/h6-7,9-12,27H,4-5,8,13H2,1-3H3/b21-12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/a 1.78E+4n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method

ACS Med Chem Lett 8: 481-485 (2017)


BindingDB Entry DOI: 10.7270/Q2WM1GNK
More data for this
Ligand-Target Pair