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Compile Data Set for Download or QSAR

Found 5 hits of ec50 data for polymerid = 49000704   
Target
(Institution)
LigandTarget
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


(HUMAN)
BDBM50052024
PNG
(CHEMBL787 | montelukast)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
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n/an/an/an/a 72n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50323903
PNG
((E)-4-(3-(4-(4-(4-Chlorophenoxy)butoxy)phenyl)acry...)
Show SMILES OC(=O)c1ccc(C(=O)\C=C\c2ccc(OCCCCOc3ccc(Cl)cc3)cc2)c(OCC#N)c1
Show InChI InChI=1S/C28H24ClNO6/c29-22-7-11-24(12-8-22)35-17-2-1-16-34-23-9-3-20(4-10-23)5-14-26(31)25-13-6-21(28(32)33)19-27(25)36-18-15-30/h3-14,19H,1-2,16-18H2,(H,32,33)/b14-5+
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n/an/an/an/a 480n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50323902
PNG
((E)-2-(2-(3-(4-(4-(4-Chlorophenoxy)butoxy)phenyl)a...)
Show SMILES OC(=O)COc1ccc(F)cc1C(=O)\C=C\c1ccc(OCCCCOc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C27H24ClFO6/c28-20-6-11-23(12-7-20)34-16-2-1-15-33-22-9-3-19(4-10-22)5-13-25(30)24-17-21(29)8-14-26(24)35-18-27(31)32/h3-14,17H,1-2,15-16,18H2,(H,31,32)/b13-5+
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n/an/an/an/a 1.30E+3n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50323901
PNG
(CHEMBL1213846 | E-2-(2-(3-(4-(4-(4-Chlorophenoxy)b...)
Show SMILES OC(=O)COc1ccccc1C(=O)\C=C\c1ccc(OCCCCOc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C27H25ClO6/c28-21-10-14-23(15-11-21)33-18-4-3-17-32-22-12-7-20(8-13-22)9-16-25(29)24-5-1-2-6-26(24)34-19-27(30)31/h1-2,5-16H,3-4,17-19H2,(H,30,31)/b16-9+
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n/an/an/an/a 1.40E+3n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(HUMAN)
BDBM50323904
PNG
((E)-4-(Cyanomethoxy)-3-(3-(4-(4-phenoxybutoxy)phen...)
Show SMILES OC(=O)c1ccc(OCC#N)c(c1)C(=O)\C=C\c1ccc(OCCCCOc2ccccc2)cc1
Show InChI InChI=1S/C28H25NO6/c29-16-19-35-27-15-11-22(28(31)32)20-25(27)26(30)14-10-21-8-12-24(13-9-21)34-18-5-4-17-33-23-6-2-1-3-7-23/h1-3,6-15,20H,4-5,17-19H2,(H,31,32)/b14-10+
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n/an/an/an/a 3.90E+3n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Citation and Details
More data for this
Ligand-Target Pair