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BDBM50212633 CHEMBL61770

SMILES: [Na+].CCCc1cc(Oc2cccc(c2)C([O-])=O)ccc1OCCCOc1cc(O)c(cc1CC)C(C)=O

InChI Key: InChIKey=JDXKIKDTNKBFCI-UHFFFAOYSA-M

Data: 1 KI  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 2 hits for monomerid = 50212633   
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
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50212633
PNG
(CHEMBL61770)
Show SMILES [Na+].CCCc1cc(Oc2cccc(c2)C([O-])=O)ccc1OCCCOc1cc(O)c(cc1CC)C(C)=O
Show InChI InChI=1S/C29H32O7/c1-4-8-21-15-24(36-23-10-6-9-22(16-23)29(32)33)11-12-27(21)34-13-7-14-35-28-18-26(31)25(19(3)30)17-20(28)5-2/h6,9-12,15-18,31H,4-5,7-8,13-14H2,1-3H3,(H,32,33)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
256n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of specific binding of [3H]-LTB4 to LTB4 receptor in guinea pig lung membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1/2


(Homo sapiens (Human))
BDBM50212633
PNG
(CHEMBL61770)
Show SMILES [Na+].CCCc1cc(Oc2cccc(c2)C([O-])=O)ccc1OCCCOc1cc(O)c(cc1CC)C(C)=O
Show InChI InChI=1S/C29H32O7/c1-4-8-21-15-24(36-23-10-6-9-22(16-23)29(32)33)11-12-27(21)34-13-7-14-35-28-18-26(31)25(19(3)30)17-20(28)5-2/h6,9-12,15-18,31H,4-5,7-8,13-14H2,1-3H3,(H,32,33)/p-1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of specific binding of [3H]LTB4 to LTB4 receptor in human neutrophils


Citation and Details

BindingDB Entry DOI: 10.7270/Q23N25HN
More data for this
Ligand-Target Pair