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10 similar compounds to monomer 50001610

Compile data set for download or QSAR
Wt: 498.5
BDBM50009071
Wt: 532.5
BDBM50017199
Wt: 498.5
BDBM50017201
Wt: 512.5
BDBM50017202
Wt: 540.6
BDBM50017208
Wt: 470.5
BDBM50017209
Wt: 456.5
BDBM50052028
Wt: 455.5
BDBM50281873
Wt: 484.5
BDBM50281874
Wt: 458.5
BDBM50281876

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50009071,50017199,50017201,50017202,50017208,50017209,50052028,50281873,50281874,50281876   
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
LTB4R


(Homo sapiens (Human))
BDBM50281873
PNG
(CHEMBL15559 | Sodium; 7-[3-(4-acetyl-2-ethyl-5-hyd...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)C(C)=O)ccc2CCC(Oc12)C([O-])=O
Show InChI InChI=1S/C26H32O7/c1-4-7-19-22(10-8-18-9-11-23(26(29)30)33-25(18)19)31-12-6-13-32-24-15-21(28)20(16(3)27)14-17(24)5-2/h8,10,14-15,23,28H,4-7,9,11-13H2,1-3H3,(H,29,30)/p-1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against LTB4 receptor in guinea pig membrane


Bioorg Med Chem Lett 3: 1147-1152 (1993)


Article DOI: 10.1016/S0960-894X(00)80304-2
BindingDB Entry DOI: 10.7270/Q2M32VP9
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50281874
PNG
(6-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C28H36O7/c1-5-8-19-16-21(17-20-10-12-25(28(30)31)35-26(19)20)33-14-7-15-34-24-13-11-22(18(3)29)27(32-4)23(24)9-6-2/h11,13,16-17,25H,5-10,12,14-15H2,1-4H3,(H,30,31)
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against LTB4 receptor in guinea pig membrane


Bioorg Med Chem Lett 3: 1147-1152 (1993)


Article DOI: 10.1016/S0960-894X(00)80304-2
BindingDB Entry DOI: 10.7270/Q2M32VP9
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50281876
PNG
(2-{3-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propo...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)C(C)=O)cccc1OC(CC)C(O)=O
Show InChI InChI=1S/C26H34O7/c1-5-10-19-23(11-8-12-24(19)33-22(7-3)26(29)30)31-13-9-14-32-25-16-21(28)20(17(4)27)15-18(25)6-2/h8,11-12,15-16,22,28H,5-7,9-10,13-14H2,1-4H3,(H,29,30)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against LTB4 receptor in human neutrophil


Bioorg Med Chem Lett 3: 1147-1152 (1993)


Article DOI: 10.1016/S0960-894X(00)80304-2
BindingDB Entry DOI: 10.7270/Q2M32VP9
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)


Article DOI: 10.1021/jm00128a028
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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n/an/a 4.00E+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)


Article DOI: 10.1021/jm00128a028
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)


Article DOI: 10.1021/jm00128a028
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)


Article DOI: 10.1021/jm00128a028
BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(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)


Article DOI: 10.1021/jm00128a028
BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)


Article DOI: 10.1021/jm00128a028
BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50281874
PNG
(6-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(OCCCOc2ccc(C(C)=O)c(OC)c2CCC)cc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C28H36O7/c1-5-8-19-16-21(17-20-10-12-25(28(30)31)35-26(19)20)33-14-7-15-34-24-13-11-22(18(3)29)27(32-4)23(24)9-6-2/h11,13,16-17,25H,5-10,12,14-15H2,1-4H3,(H,30,31)
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n/an/a 41n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against LTB4 receptor in human neutrophil


Bioorg Med Chem Lett 3: 1147-1152 (1993)


Article DOI: 10.1016/S0960-894X(00)80304-2
BindingDB Entry DOI: 10.7270/Q2M32VP9
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(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 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against LTD4 (leukotriene).


J Med Chem 39: 2629-54 (1996)


Article DOI: 10.1021/jm960088k
BindingDB Entry DOI: 10.7270/Q21J9BFT
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50052028
PNG
(7-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)C(C)=O)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C26H32O7/c1-4-7-19-22(10-8-18-9-11-23(26(29)30)33-25(18)19)31-12-6-13-32-24-15-21(28)20(16(3)27)14-17(24)5-2/h8,10,14-15,23,28H,4-7,9,11-13H2,1-3H3,(H,29,30)
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n/an/a 40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against human neutrophil LTB4 receptor binding


J Med Chem 39: 2629-54 (1996)


Article DOI: 10.1021/jm960088k
BindingDB Entry DOI: 10.7270/Q21J9BFT
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50281873
PNG
(CHEMBL15559 | Sodium; 7-[3-(4-acetyl-2-ethyl-5-hyd...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)C(C)=O)ccc2CCC(Oc12)C([O-])=O
Show InChI InChI=1S/C26H32O7/c1-4-7-19-22(10-8-18-9-11-23(26(29)30)33-25(18)19)31-12-6-13-32-24-15-21(28)20(16(3)27)14-17(24)5-2/h8,10,14-15,23,28H,4-7,9,11-13H2,1-3H3,(H,29,30)/p-1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against LTB4 receptor in guinea pig membrane


Bioorg Med Chem Lett 3: 1147-1152 (1993)


Article DOI: 10.1016/S0960-894X(00)80304-2
BindingDB Entry DOI: 10.7270/Q2M32VP9
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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n/an/a 2.00E+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)


Article DOI: 10.1021/jm00128a028
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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n/an/a 5.00E+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)


Article DOI: 10.1021/jm00128a028
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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n/an/a 4.00E+3n/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace [3H]-LTD4 from LTD4 receptor in guinea pig lung membranes


J Med Chem 34: 1235-42 (1991)


Article DOI: 10.1021/jm00108a001
BindingDB Entry DOI: 10.7270/Q2K936HB
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50281876
PNG
(2-{3-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propo...)
Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)C(C)=O)cccc1OC(CC)C(O)=O
Show InChI InChI=1S/C26H34O7/c1-5-10-19-23(11-8-12-24(19)33-22(7-3)26(29)30)31-13-9-14-32-25-16-21(28)20(17(4)27)15-18(25)6-2/h8,11-12,15-16,22,28H,5-7,9-10,13-14H2,1-4H3,(H,29,30)
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n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition against LTB4 receptor in human neutrophil


Bioorg Med Chem Lett 3: 1147-1152 (1993)


Article DOI: 10.1016/S0960-894X(00)80304-2
BindingDB Entry DOI: 10.7270/Q2M32VP9
More data for this
Ligand-Target Pair