BindingDB logo
myBDB logout

BDBM50216361 CHEMBL143326

SMILES: CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2cccc(n2)C2CCC2)c1

InChI Key: InChIKey=IOGVHXVJWAEZRZ-IGCBCYMVSA-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 = 50216361   
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
Cysteinyl leukotriene receptor


(Homo sapiens (Human))		BDBM50216361
PNG
(CHEMBL143326)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2cccc(n2)C2CCC2)c1
Show InChI InChI=1S/C35H41NO3S/c1-34(2,39)30-14-4-3-9-26(30)17-19-32(40-24-35(20-21-35)23-33(37)38)28-12-5-8-25(22-28)16-18-29-13-7-15-31(36-29)27-10-6-11-27/h3-5,7-9,12-16,18,22,27,32,39H,6,10-11,17,19-21,23-24H2,1-2H3,(H,37,38)/b18-16+/t32-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-LTD4 binding to LTD4 receptor of guinea pig lung membrane without human serum albumin (HSA).

Bioorg Med Chem Lett 8: 453-8 (1999)


BindingDB Entry DOI: 10.7270/Q2M907SH
More data for this
Ligand-Target Pair