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7 similar compounds to monomer 50280290

Wt: 361.4
BDBM50036750
Wt: 401.5
BDBM50280285
Wt: 403.5
BDBM50280286
Wt: 375.4
BDBM50280287
Wt: 403.5
BDBM50280288
Wt: 345.4
BDBM50285071
Wt: 346.4
BDBM50446721

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50036750,50280285,50280286,50280287,50280288,50285071,50446721   
Target
(Institution)
LigandTarget
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


(HUMAN)
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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4.75n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50285071
PNG
(CHEMBL62051 | sodium 2,4-diethyl-5-[6-methyl-6-(2H...)
Show SMILES CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O2/c1-5-14-12-15(6-2)17(13-16(14)24)25-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand binding to Leukotriene B4 receptor in guinea pig lung membrane binding assa...


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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14.2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in guinea pig lung membrane binding assay


Bioorg Med Chem Lett 2: 1675-1680 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280286
PNG
(4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)h...)
Show SMILES CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C22H35N4O3/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27)/q-1
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14.3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human neutrophil Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50285071
PNG
(CHEMBL62051 | sodium 2,4-diethyl-5-[6-methyl-6-(2H...)
Show SMILES CCc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O2/c1-5-14-12-15(6-2)17(13-16(14)24)25-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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17.1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280286
PNG
(4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)h...)
Show SMILES CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C22H35N4O3/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27)/q-1
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Guinea pig membrane LTB4 Receptor.


Bioorg Med Chem Lett 5: 1995-2000 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280286
PNG
(4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)h...)
Show SMILES CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C22H35N4O3/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27)/q-1
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand binding to Leukotriene B4 receptor in guinea pig lung membrane binding assa...


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280287
PNG
(4-ethyl-2-isopropoxy-5-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C20H31N4O3/c1-6-15-12-18(27-14(2)3)16(25)13-17(15)26-11-9-7-8-10-20(4,5)19-21-23-24-22-19/h12-14H,6-11H2,1-5H3,(H-,21,22,23,24,25)/q-1
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52.7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand binding to Leukotriene B4 receptor in guinea pig lung membrane binding assa...


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280288
PNG
(4-ethyl-2-isopentyloxy-5-[6-methyl-6-(2H-1,2,3,4-t...)
Show SMILES CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C22H35N4O3/c1-6-17-14-20(29-13-10-16(2)3)18(27)15-19(17)28-12-9-7-8-11-22(4,5)21-23-25-26-24-21/h14-16H,6-13H2,1-5H3,(H-,23,24,25,26,27)/q-1
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83n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand binding to Leukotriene B4 receptor in guinea pig lung membrane binding assa...


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280285
PNG
(2-cyclopentyloxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4...)
Show SMILES CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C22H33N4O3/c1-4-16-14-20(29-17-10-6-7-11-17)18(27)15-19(16)28-13-9-5-8-12-22(2,3)21-23-25-26-24-21/h14-15,17H,4-13H2,1-3H3,(H-,23,24,25,26,27)/q-1
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109n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand binding to Leukotriene B4 receptor in guinea pig lung membrane binding assa...


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-LTB4 radioligand binding to leukotriene B4 receptor in human neutrophil binding assay


Bioorg Med Chem Lett 2: 1675-1680 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280287
PNG
(4-ethyl-2-isopropoxy-5-[6-methyl-6-(2H-1,2,3,4-tet...)
Show SMILES CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C20H31N4O3/c1-6-15-12-18(27-14(2)3)16(25)13-17(15)26-11-9-7-8-10-20(4,5)19-21-23-24-22-19/h12-14H,6-11H2,1-5H3,(H-,21,22,23,24,25)/q-1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand to Leukotriene B4 receptor in human neutrophil binding assay


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair
Bile acid receptor FXR


(Homo sapiens (human))
BDBM50446721
PNG
(CHEMBL1205188)
Show SMILES CCc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O
Show InChI InChI=1S/C19H30N4O2/c1-5-14-12-15(6-2)17(13-16(14)24)25-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13,24H,5-11H2,1-4H3,(H,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXRalpha LBD (unknown origin) assessed as inhibition of CDCA-induced bio-SRC-1 recruitment after 30 mins by fluores...


Bioorg Med Chem 22: 1596-607 (2014)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280285
PNG
(2-cyclopentyloxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4...)
Show SMILES CCc1cc(OC2CCCC2)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C22H33N4O3/c1-4-16-14-20(29-17-10-6-7-11-17)18(27)15-19(16)28-13-9-5-8-12-22(2,3)21-23-25-26-24-21/h14-15,17H,4-13H2,1-3H3,(H-,23,24,25,26,27)/q-1
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n/an/a 41.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand to Leukotriene B4 receptor in human neutrophil binding assay


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280286
PNG
(4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraazol-5-yl)h...)
Show SMILES CCCCCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C22H35N4O3/c1-5-7-10-13-29-20-15-17(6-2)19(16-18(20)27)28-14-11-8-9-12-22(3,4)21-23-25-26-24-21/h15-16H,5-14H2,1-4H3,(H-,23,24,25,26,27)/q-1
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n/an/a 6.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand to Leukotriene B4 receptor in human neutrophil binding assay


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50280288
PNG
(4-ethyl-2-isopentyloxy-5-[6-methyl-6-(2H-1,2,3,4-t...)
Show SMILES CCc1cc(OCCC(C)C)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1
Show InChI InChI=1S/C22H35N4O3/c1-6-17-14-20(29-13-10-16(2)3)18(27)15-19(17)28-12-9-7-8-11-22(4,5)21-23-25-26-24-21/h14-16H,6-13H2,1-5H3,(H-,23,24,25,26,27)/q-1
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n/an/a 35.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand to Leukotriene B4 receptor in human neutrophil binding assay


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50036750
PNG
(2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-1,2,3,4-tetraaz...)
Show SMILES CCOc1cc(CC)c(OCCCCCC(C)(C)c2nn[n-]n2)cc1O
Show InChI InChI=1S/C19H29N4O3/c1-5-14-12-17(25-6-2)15(24)13-16(14)26-11-9-7-8-10-19(3,4)18-20-22-23-21-18/h12-13H,5-11H2,1-4H3,(H-,20,21,22,23,24)/q-1
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n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for receptor binding against [3H]-LTB4 radioligand to Leukotriene B4 receptor in human neutrophil binding assay


Bioorg Med Chem Lett 2: 1669-1674 (1992)

More data for this
Ligand-Target Pair