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PubMed code 2547071

Compile data set for download or QSAR
Found 27 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 1/2


(Homo sapiens (Human))		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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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM7962
PNG
(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Show SMILES OC(=O)c1ccc(OCCn2ccnc2)cc1
Show InChI InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
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n/an/a 300n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50228307
PNG
(CGP-35949)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1cc(NC(=O)c2nn[nH]n2)c(C)cc1Cl)C(C)=O
Show InChI InChI=1S/C23H26ClN5O5/c1-4-6-16-19(8-7-15(14(3)30)21(16)31)33-9-5-10-34-20-12-18(13(2)11-17(20)24)25-23(32)22-26-28-29-27-22/h7-8,11-12,31H,4-6,9-10H2,1-3H3,(H,25,32)(H,26,27,28,29)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50000838
PNG
(CHEMBL416657 | Sodium; 3-[3-tert-butylsulfanyl-1-(...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)/p-1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50228304
PNG
(CHEMBL417028)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCC(O)=O)CCc2cc1C(C)=O)C(C)=O
Show InChI InChI=1S/C30H38O8/c1-4-8-24-26(13-12-23(19(2)31)30(24)35)36-15-6-5-7-16-37-28-18-27-21(17-25(28)20(3)32)9-10-22(38-27)11-14-29(33)34/h12-13,17-18,22,35H,4-11,14-16H2,1-3H3,(H,33,34)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50228313
PNG
(CHEMBL55714)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(=O)NS(=O)(=O)c1ccccc1)C(C)=O
Show InChI InChI=1S/C34H39NO9S/c1-4-11-27-29(17-15-26(22(2)36)33(27)38)42-18-9-6-10-19-43-32-21-31-24(20-28(32)23(3)37)14-16-30(44-31)34(39)35-45(40,41)25-12-7-5-8-13-25/h5,7-8,12-13,15,17,20-21,30,38H,4,6,9-11,14,16,18-19H2,1-3H3,(H,35,39)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50017208
PNG
(6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCC)(CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C31H40O8/c1-5-10-24-26(12-11-23(20(3)32)29(24)34)37-16-8-7-9-17-38-28-19-27-22(18-25(28)21(4)33)13-15-31(39-27,14-6-2)30(35)36/h11-12,18-19,34H,5-10,13-17H2,1-4H3,(H,35,36)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of compound to block binding of [3H]-leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50228311
PNG
(CHEMBL53333)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC3(CCC(CC3)C(O)=O)CCc2cc1C(C)=O)C(C)=O |(11.43,-34.65,;11.43,-33.09,;12.75,-32.34,;12.75,-30.8,;11.43,-30.03,;10.08,-30.8,;11.43,-28.49,;12.75,-27.7,;14.1,-28.47,;14.1,-30.03,;15.43,-30.8,;16.76,-30.01,;18.11,-30.78,;19.42,-30.01,;20.77,-30.78,;22.1,-30.01,;23.43,-30.78,;24.77,-30,;26.09,-30.78,;27.43,-30,;28.75,-30.75,;30.07,-29.98,;30.06,-31.52,;31.38,-32.29,;32.7,-31.54,;32.72,-30,;31.39,-29.21,;34.04,-32.32,;35.39,-31.55,;34.02,-33.86,;30.07,-28.44,;28.75,-27.67,;27.41,-28.46,;26.06,-27.7,;24.75,-28.47,;23.4,-27.7,;22.08,-28.49,;23.4,-26.16,;10.08,-27.72,;8.77,-28.49,;10.08,-26.18,)|
Show InChI InChI=1S/C33H42O8/c1-4-8-26-28(10-9-25(21(2)34)31(26)36)39-17-6-5-7-18-40-30-20-29-24(19-27(30)22(3)35)13-16-33(41-29)14-11-23(12-15-33)32(37)38/h9-10,19-20,23,36H,4-8,11-18H2,1-3H3,(H,37,38)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50009071
PNG
(6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of compound to block binding of [3H]-leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		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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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50017202
PNG
(6-Acetyl-7-[6-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C29H36O8/c1-4-9-22-24(13-11-21(18(2)30)28(22)32)35-14-7-5-6-8-15-36-27-17-26-20(16-23(27)19(3)31)10-12-25(37-26)29(33)34/h11,13,16-17,25,32H,4-10,12,14-15H2,1-3H3,(H,33,34)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of compound to block binding of [3H]-leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50228301
PNG
(CHEMBL54688)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1ccc2CCC(Oc2c1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C28H34O8/c1-4-8-21-22(14-11-20(17(2)29)26(21)31)34-15-6-5-7-16-35-23-12-9-19-10-13-24(28(32)33)36-27(19)25(23)18(3)30/h9,11-12,14,24,31H,4-8,10,13,15-16H2,1-3H3,(H,32,33)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50228300
PNG
(CHEMBL293529)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc(OCC(O)=O)ccc1C(C)=O)C(C)=O
Show InChI InChI=1S/C26H32O8/c1-4-8-22-23(12-11-21(18(3)28)26(22)31)32-13-6-5-7-14-33-24-15-19(34-16-25(29)30)9-10-20(24)17(2)27/h9-12,15,31H,4-8,13-14,16H2,1-3H3,(H,29,30)
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50017201
PNG
(6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2O[C@@H](CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)/t24-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Invitro activity of the compound to inhibit binding of [3H]- leukotriene D4 to receptor sites in guinea pig lung membrane

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50009071
PNG
(6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound to inhibit Inophore-induced arachidonic acid metabolism (inhibition of TXB2 formation) in rat

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50017209
PNG
(6-Acetyl-7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C26H30O8/c1-4-6-19-21(10-8-18(15(2)27)25(19)29)32-11-5-12-33-24-14-23-17(13-20(24)16(3)28)7-9-22(34-23)26(30)31/h8,10,13-14,22,29H,4-7,9,11-12H2,1-3H3,(H,30,31)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of compound to block binding of [3H]-leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50228302
PNG
(CHEMBL53512)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(C)(CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C29H36O8/c1-5-9-22-24(11-10-21(18(2)30)27(22)32)35-14-7-6-8-15-36-26-17-25-20(16-23(26)19(3)31)12-13-29(4,37-25)28(33)34/h10-11,16-17,32H,5-9,12-15H2,1-4H3,(H,33,34)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50017199
PNG
(6-Acetyl-7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCc1cccc(COc2cc3OC(CCc3cc2C(C)=O)C(O)=O)c1)C(C)=O
Show InChI InChI=1S/C31H32O8/c1-4-6-24-26(12-10-23(18(2)32)30(24)34)37-16-20-7-5-8-21(13-20)17-38-29-15-28-22(14-25(29)19(3)33)9-11-27(39-28)31(35)36/h5,7-8,10,12-15,27,34H,4,6,9,11,16-17H2,1-3H3,(H,35,36)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of compound to block binding of [3H]-leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50228303
PNG
(CHEMBL52877)
Show SMILES CCCc1c(O)c(ccc1OCCC(C)(C)CCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C30H38O8/c1-6-7-22-24(11-9-21(18(2)31)28(22)33)36-14-12-30(4,5)13-15-37-27-17-26-20(16-23(27)19(3)32)8-10-25(38-26)29(34)35/h9,11,16-17,25,33H,6-8,10,12-15H2,1-5H3,(H,34,35)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity to block binding of [3H]leukotriene D4 to LTD4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50017200
PNG
(6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2CC(CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C29H36O7/c1-4-8-24-26(12-11-23(18(2)30)28(24)32)35-13-6-5-7-14-36-27-17-22-15-21(29(33)34)10-9-20(22)16-25(27)19(3)31/h11-12,16-17,21,32H,4-10,13-15H2,1-3H3,(H,33,34)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of compound to block binding of [3H]-leukotriene D4 toCysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))		BDBM50228306
PNG
(CHEMBL55164)
Show SMILES [H][C@@]1(CCc2cc(C(C)=O)c(OCCCCCOc3ccc(C(C)=O)c(O)c3CCC)cc2O1)C(O)=O
Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)/t24-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro activity to inhibit binding of [3H]- leukotriene D4 to receptor sites in guinea pig lung membrane

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50009071
PNG
(6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCOc1cc2OC(CCc2cc1C(C)=O)C(O)=O)C(C)=O
Show InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1A

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		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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n/an/a 4.00E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1A

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM50017210
PNG
(8-(1,2-Dimethyl-propyl)-purine-2,6-dione | CHEMBL5...)
Show SMILES CC(C)C(C)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C10H14N4O2/c1-4(2)5(3)7-11-6-8(12-7)13-10(16)14-9(6)15/h4-5H,1-3H3,(H3,11,12,13,14,15,16)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1A

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)		BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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n/an/a 5.00E+5n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1A

J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%