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PubMed code 1331447

Compile data set for download or QSAR
Found 14 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)
BDBM50001273
PNG
(3-((2-Carbamoyl-ethylsulfanyl)-{3-[2-(7-chloro-qui...)
Show SMILES NC(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C24H23ClN2O3S2/c25-19-7-5-17-6-9-20(27-21(17)15-19)8-4-16-2-1-3-18(14-16)24(31-12-10-22(26)28)32-13-11-23(29)30/h1-9,14-15,24H,10-13H2,(H2,26,28)(H,29,30)/b8-4+
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001285
PNG
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
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n/an/a 0.800n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001293
PNG
(3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(...)
Show SMILES OC(=O)CCSC(SCCC(=O)N1CCOCC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C28H29ClN2O4S2/c29-23-7-5-21-6-9-24(30-25(21)19-23)8-4-20-2-1-3-22(18-20)28(37-17-11-27(33)34)36-16-10-26(32)31-12-14-35-15-13-31/h1-9,18-19,28H,10-17H2,(H,33,34)/b8-4+
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n/an/a 2.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001296
PNG
(3-{(2-Carboxy-ethylsulfanyl)-[3-(7-chloro-quinolin...)
Show SMILES OC(=O)CCSC(SCCC(O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C23H22ClNO5S2/c24-17-6-4-15-5-7-18(25-20(15)13-17)14-30-19-3-1-2-16(12-19)23(31-10-8-21(26)27)32-11-9-22(28)29/h1-7,12-13,23H,8-11,14H2,(H,26,27)(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001271
PNG
(3-((2-Carboxy-ethylsulfanyl)-{3-[2-(7-chloro-quino...)
Show SMILES OC(=O)CCSC(SCCC(O)=O)c1cccc(c1)C1CC1c1ccc2ccc(Cl)cc2n1
Show InChI InChI=1S/C25H24ClNO4S2/c26-18-6-4-15-5-7-21(27-22(15)13-18)20-14-19(20)16-2-1-3-17(12-16)25(32-10-8-23(28)29)33-11-9-24(30)31/h1-7,12-13,19-20,25H,8-11,14H2,(H,28,29)(H,30,31)
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n/an/a 32n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001269
PNG
(3-((2-Carboxy-ethylsulfanyl)-{3-[2-(7-chloro-quino...)
Show SMILES OC(=O)CCSC(SCCC(O)=O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C24H24ClNO4S2/c25-19-7-5-17-6-9-20(26-21(17)15-19)8-4-16-2-1-3-18(14-16)24(31-12-10-22(27)28)32-13-11-23(29)30/h1-3,5-7,9,14-15,24H,4,8,10-13H2,(H,27,28)(H,29,30)
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n/an/a 57n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001288
PNG
(3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(...)
Show SMILES CN(C)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C25H27ClN2O2S2/c1-28(2)13-15-32-25(31-14-12-24(29)30)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(26)17-23(19)27-22/h3-11,16-17,25H,12-15H2,1-2H3,(H,29,30)/b10-6+
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n/an/a 60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001289
PNG
(3-{(2-Dimethylcarbamoyl-ethylsulfanyl)-[3-(quinoli...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(SCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C25H28N2O3S3/c1-27(2)23(28)12-14-31-25(32-15-13-24(29)30)19-7-5-8-21(16-19)33-17-20-11-10-18-6-3-4-9-22(18)26-20/h3-11,16,25H,12-15,17H2,1-2H3,(H,29,30)
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n/an/a 89n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001300
PNG
(3-((2-Carboxy-ethylsulfanyl)-{3-[3-(7-chloro-quino...)
Show SMILES [O-]C(=O)CCSC(SCCC([O-])=O)c1cccc(CCCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C25H26ClNO4S2/c26-20-9-7-18-8-10-21(27-22(18)16-20)6-2-4-17-3-1-5-19(15-17)25(32-13-11-23(28)29)33-14-12-24(30)31/h1,3,5,7-10,15-16,25H,2,4,6,11-14H2,(H,28,29)(H,30,31)/p-2
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n/an/a 250n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001295
PNG
(CHEMBL338166 | dilithium; 3-((2-carboxy-ethylsulfa...)
Show SMILES [O-]C(=O)CCSC(SCCC([O-])=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1
Show InChI InChI=1S/C23H22N2O5S2/c26-20(27)10-12-31-23(32-13-11-21(28)29)16-5-3-6-17(14-16)24-22(30)19-9-8-15-4-1-2-7-18(15)25-19/h1-9,14,23H,10-13H2,(H,24,30)(H,26,27)(H,28,29)/p-2
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n/an/a 440n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001282
PNG
(CHEMBL124741 | {3-[2-(6-Methyl-quinolin-2-yl)-viny...)
Show SMILES COC(=O)COc1cccc(\C=C\c2ccc3cc(C)ccc3n2)c1
Show InChI InChI=1S/C21H19NO3/c1-15-6-11-20-17(12-15)8-10-18(22-20)9-7-16-4-3-5-19(13-16)25-14-21(23)24-2/h3-13H,14H2,1-2H3/b9-7+
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n/an/a 930n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001280
PNG
(2-(2-Pyridin-4-yl-vinyl)-quinoline | CHEMBL338876)
Show SMILES C(=C/c1ccc2ccccc2n1)\c1ccncc1
Show InChI InChI=1S/C16H12N2/c1-2-4-16-14(3-1)6-8-15(18-16)7-5-13-9-11-17-12-10-13/h1-12H/b7-5+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001290
PNG
(2-[(E)-2-phenylethenyl]quinoline | CHEMBL127579 | ...)
Show SMILES C(=C/c1ccc2ccccc2n1)\c1ccccc1
Show InChI InChI=1S/C17H13N/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-13H/b12-10+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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


(GUINEA PIG)
BDBM50001283
PNG
(2-(2-Pyridin-3-yl-vinyl)-quinoline | CHEMBL127816)
Show SMILES C(=C/c1ccc2ccccc2n1)\c1cccnc1
Show InChI InChI=1S/C16H12N2/c1-2-6-16-14(5-1)8-10-15(18-16)9-7-13-4-3-11-17-12-13/h1-12H/b9-7+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


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