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PubMed code 1851845

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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


(GUINEA PIG)
BDBM50291847
PNG
(7-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-2-(1H-tetra...)
Show SMILES O=C1CC(Oc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C27H21N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-13-21(10-11-22(24)25)34-15-17-4-3-6-20(12-17)35-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,29,30,31,32)
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0.100n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291855
PNG
(7-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-2-(1H-t...)
Show SMILES O=C1CC(Oc2cc(COc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C27H21N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-12-17(8-11-22(24)25)15-34-20-5-3-6-21(13-20)35-16-19-10-9-18-4-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,29,30,31,32)
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0.120n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009075
PNG
(CHEMBL22033 | ICI 198615 | ICI-198615 | [1-(4-Benz...)
Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)
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0.300n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291848
PNG
(7-{2-[3-(Quinolin-2-ylmethoxy)-phenyl]-ethyl}-2-(1...)
Show SMILES O=C1CC(Oc2cc(CCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C28H23N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-7,10-15,27H,8-9,16-17H2,(H,30,31,32,33)
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0.300n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291849
PNG
(CHEMBL47662 | N-[4-Oxo-2-(1H-tetrazol-5-yl)-chroma...)
Show SMILES O=C(Nc1cccc2C(=O)CC(Oc12)c1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H20N6O4/c34-23-14-24(26-30-32-33-31-26)37-25-20(23)5-3-7-22(25)29-27(35)17-9-12-19(13-10-17)36-15-18-11-8-16-4-1-2-6-21(16)28-18/h1-13,24H,14-15H2,(H,29,35)(H,30,31,32,33)
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1.10n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291850
PNG
(3-{2-Methyl-4-oxo-7-[3-(quinolin-2-ylmethoxy)-benz...)
Show SMILES CC1(CCC(O)=O)CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1
Show InChI InChI=1S/C30H27NO6/c1-30(14-13-29(33)34)17-27(32)25-12-11-24(16-28(25)37-30)35-18-20-5-4-7-23(15-20)36-19-22-10-9-21-6-2-3-8-26(21)31-22/h2-12,15-16H,13-14,17-19H2,1H3,(H,33,34)
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1.20n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291854
PNG
(4-Oxo-6-[3-(quinolin-2-ylmethoxy)-benzyloxy]-chrom...)
Show SMILES OC(=O)C1CC(=O)c2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc2O1
Show InChI InChI=1S/C27H21NO6/c29-24-14-26(27(30)31)34-25-11-10-21(13-22(24)25)32-15-17-4-3-6-20(12-17)33-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,30,31)
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1.30n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291856
PNG
(4-Oxo-7-[3-(quinolin-2-ylmethoxy)-benzyloxy]-chrom...)
Show SMILES OC(=O)C1CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1
Show InChI InChI=1S/C27H21NO6/c29-24-14-26(27(30)31)34-25-13-21(10-11-22(24)25)32-15-17-4-3-6-20(12-17)33-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,30,31)
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2.10n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291858
PNG
(7-{2-[3-(Quinolin-2-ylmethoxy)-phenyl]-vinyl}-2-(1...)
Show SMILES O=C1CC(Oc2cc(\C=C\c3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C28H21N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-15,27H,16-17H2,(H,30,31,32,33)/b9-8+
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2.5n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50006799
PNG
(2-{4-[2-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenox...)
Show SMILES C(Oc1ccc(OCc2ccccc2Cc2nnn[nH]2)cc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H21N5O2/c1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2,(H,27,28,29,30)
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3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291853
PNG
(4-Oxo-7-[4-(quinolin-2-ylmethoxy)-phenoxymethyl]-c...)
Show SMILES OC(=O)C1CC(=O)c2ccc(COc3ccc(OCc4ccc5ccccc5n4)cc3)cc2O1
Show InChI InChI=1S/C27H21NO6/c29-24-14-26(27(30)31)34-25-13-17(5-12-22(24)25)15-32-20-8-10-21(11-9-20)33-16-19-7-6-18-3-1-2-4-23(18)28-19/h1-13,26H,14-16H2,(H,30,31)
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6.30n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291859
PNG
(4-Oxo-8-[4-(quinolin-2-ylmethoxy)-phenoxymethyl]-c...)
Show SMILES OC(=O)C1CC(=O)c2cccc(COc3ccc(OCc4ccc5ccccc5n4)cc3)c2O1
Show InChI InChI=1S/C27H21NO6/c29-24-14-25(27(30)31)34-26-18(5-3-6-22(24)26)15-32-20-10-12-21(13-11-20)33-16-19-9-8-17-4-1-2-7-23(17)28-19/h1-13,25H,14-16H2,(H,30,31)
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13n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291851
PNG
(8-[4-(Quinolin-2-ylmethoxy)-phenoxymethyl]-2-(1H-t...)
Show SMILES O=C1CC(Oc2c(COc3ccc(OCc4ccc5ccccc5n4)cc3)cccc12)c1nnn[nH]1
Show InChI InChI=1S/C27H21N5O4/c33-24-14-25(27-29-31-32-30-27)36-26-18(5-3-6-22(24)26)15-34-20-10-12-21(13-11-20)35-16-19-9-8-17-4-1-2-7-23(17)28-19/h1-13,25H,14-16H2,(H,29,30,31,32)
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15n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291857
PNG
(6-Chloro-4-oxo-5-[4-(quinolin-2-ylmethoxy)-benzylo...)
Show SMILES OC(=O)C1CC(=O)c2c(O1)ccc(Cl)c2OCc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H20ClNO6/c28-20-11-12-23-25(22(30)13-24(35-23)27(31)32)26(20)34-14-16-5-9-19(10-6-16)33-15-18-8-7-17-3-1-2-4-21(17)29-18/h1-12,24H,13-15H2,(H,31,32)
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18n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291852
PNG
(4-Oxo-7-[3-(quinolin-2-ylmethoxy)-phenoxymethyl]-c...)
Show SMILES CCOC(=O)C1CC(=O)c2ccc(COc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1
Show InChI InChI=1S/C29H25NO6/c1-2-33-29(32)28-16-26(31)24-13-10-19(14-27(24)36-28)17-34-22-7-5-8-23(15-22)35-18-21-12-11-20-6-3-4-9-25(20)30-21/h3-15,28H,2,16-18H2,1H3
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30n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50006812
PNG
(7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydro...)
Show SMILES CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O
Show InChI InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33)
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510n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50291846
PNG
(4-Oxo-7-(quinolin-2-ylmethoxy)-4H-chromene-2-carbo...)
Show SMILES OC(=O)c1cc(=O)c2ccc(OCc3ccc4ccccc4n3)cc2o1
Show InChI InChI=1S/C20H13NO5/c22-17-10-19(20(23)24)26-18-9-14(7-8-15(17)18)25-11-13-6-5-12-3-1-2-4-16(12)21-13/h1-10H,11H2,(H,23,24)
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7.00E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%