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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cysteinyl leukotriene receptor 1/2' and Ligand = 'BDBM50216211'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50216211
PNG
(CHEMBL143597)
Show SMILES CCCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Show InChI InChI=1S/C35H43NO3S/c1-5-9-31-25(2)14-17-29(36-31)18-15-26-10-8-12-28(22-26)32(40-24-35(20-21-35)23-33(37)38)19-16-27-11-6-7-13-30(27)34(3,4)39/h6-8,10-15,17-18,22,32,39H,5,9,16,19-21,23-24H2,1-4H3,(H,37,38)/b18-15+/t32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.5n/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
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50216211
PNG
(CHEMBL143597)
Show SMILES CCCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C
Show InChI InChI=1S/C35H43NO3S/c1-5-9-31-25(2)14-17-29(36-31)18-15-26-10-8-12-28(22-26)32(40-24-35(20-21-35)23-33(37)38)19-16-27-11-6-7-13-30(27)34(3,4)39/h6-8,10-15,17-18,22,32,39H,5,9,16,19-21,23-24H2,1-4H3,(H,37,38)/b18-15+/t32-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.700n/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 with 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