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Compile Data Set for Download or QSAR

Found 9 hits of ki data for polymerid = 49000704   
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
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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PubMed
0.260n/an/an/an/an/an/an/an/a



University of California at Irvine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1601-8 (2000)


Article DOI: 10.1124/mol.58.6.1601
BindingDB Entry DOI: 10.7270/Q2RR1WSG
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50292408
PNG
((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LTD4 from LTD4 receptor


J Nat Prod 56: 441-455 (1993)


Article DOI: 10.1021/np50094a001
BindingDB Entry DOI: 10.7270/Q2VT1S4B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM85673
PNG
(CAS_5311297 | Montelukast | NSC_5311297)
Show SMILES CC(C)(O)c1ccccc1CCC(S)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C29H28ClNOS/c1-29(2,32)26-9-4-3-7-21(26)13-17-28(33)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,28,32-33H,13,17H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



University of California at Irvine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1601-8 (2000)


Article DOI: 10.1124/mol.58.6.1601
BindingDB Entry DOI: 10.7270/Q2RR1WSG
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50009070
PNG
((2S,3R)-3-(2-Carboxy-ethylsulfanyl)-2-hydroxy-3-[2...)
Show SMILES O[C@H]([C@H](SCCC(O)=O)c1ccccc1CCCCCCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H34O5S/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31)/t24-,25-/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor in guinea pig lung membranes using [3H]-LTD4 as the radioligand.


J Med Chem 30: 959-61 (1987)


Article DOI: 10.1021/jm00389a001
BindingDB Entry DOI: 10.7270/Q2D50KZN
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
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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10.4n/an/an/an/an/an/an/an/a



University of California at Irvine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1601-8 (2000)


Article DOI: 10.1124/mol.58.6.1601
BindingDB Entry DOI: 10.7270/Q2RR1WSG
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM50013901
PNG
(2-(4-{2-[2-(1H-Tetrazol-5-yl)-ethyl]-pentyl}-pheno...)
Show SMILES CCCC(CCc1nnn[nH]1)Cc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C24H27N5O/c1-2-5-18(10-15-24-26-28-29-27-24)16-19-8-13-22(14-9-19)30-17-21-12-11-20-6-3-4-7-23(20)25-21/h3-4,6-9,11-14,18H,2,5,10,15-17H2,1H3,(H,26,27,28,29)
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11n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung membrane


J Med Chem 33: 2828-41 (1990)


Article DOI: 10.1021/jm00172a024
BindingDB Entry DOI: 10.7270/Q29C6WDM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM86692
PNG
(K117)
Show SMILES CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c1-19(2)26(30)29(22-14-8-5-9-15-22)25-18-20(3)28(24-17-11-10-16-23(24)25)27(31)21-12-6-4-7-13-21/h4-17,19-20,25H,18H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair