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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'keith' and Initial = 'rh'   
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
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50284125
PNG
(7-[3-(4-Isopropylcarbamoyl-3-methoxy-2-propyl-phen...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(=O)NC(C)C)c1OC
Show InChI InChI=1S/C30H41NO7/c1-6-9-21-24(14-11-20-12-15-26(30(33)34)38-27(20)21)36-17-8-18-37-25-16-13-23(29(32)31-19(3)4)28(35-5)22(25)10-7-2/h11,13-14,16,19,26H,6-10,12,15,17-18H2,1-5H3,(H,31,32)(H,33,34)
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n/an/a 0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50213060
PNG
(CHEMBL355401 | SC-50135)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(=O)N2CCCC2)c1OC
Show InChI InChI=1S/C31H41NO7/c1-4-9-22-25(14-11-21-12-15-27(31(34)35)39-28(21)22)37-19-8-20-38-26-16-13-24(29(36-3)23(26)10-5-2)30(33)32-17-6-7-18-32/h11,13-14,16,27H,4-10,12,15,17-20H2,1-3H3,(H,34,35)
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n/an/a<0.100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50284122
PNG
(7-[3-(4-Dimethylcarbamoyl-3-methoxy-2-propyl-pheno...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(=O)N(C)C)c1OC
Show InChI InChI=1S/C29H39NO7/c1-6-9-20-23(14-11-19-12-15-25(29(32)33)37-26(19)20)35-17-8-18-36-24-16-13-22(28(31)30(3)4)27(34-5)21(24)10-7-2/h11,13-14,16,25H,6-10,12,15,17-18H2,1-5H3,(H,32,33)
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n/an/a 0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50284123
PNG
(7-[3-(3-Methoxy-4-methylcarbamoyl-2-propyl-phenoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(=O)NC)c1OC
Show InChI InChI=1S/C28H37NO7/c1-5-8-19-22(13-10-18-11-14-24(28(31)32)36-25(18)19)34-16-7-17-35-23-15-12-21(27(30)29-3)26(33-4)20(23)9-6-2/h10,12-13,15,24H,5-9,11,14,16-17H2,1-4H3,(H,29,30)(H,31,32)
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n/an/a 0.850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033746
PNG
(7-[3-(4-Carbamoyl-3-methoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(N)=O)c1OC
Show InChI InChI=1S/C27H35NO7/c1-4-7-18-21(12-9-17-10-13-23(27(30)31)35-24(17)18)33-15-6-16-34-22-14-11-20(26(28)29)25(32-3)19(22)8-5-2/h9,11-12,14,23H,4-8,10,13,15-16H2,1-3H3,(H2,28,29)(H,30,31)
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033743
PNG
(7-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4-yl...)
Show SMILES CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C30H35NO6S/c1-3-5-22-25(11-8-20-9-12-27(30(32)33)37-28(20)22)35-14-4-15-36-26-13-10-21(24-17-38-18-31-24)29(34-2)23(26)16-19-6-7-19/h8,10-11,13,17-19,27H,3-7,9,12,14-16H2,1-2H3,(H,32,33)
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n/an/a 3.20n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Leukotriene B4 (LTB4) Receptor. Experiment conducted in the absence of NDGA.


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033744
PNG
(7-{3-[3-Methoxy-2-propyl-4-(3H-[1,2,3]triazol-4-yl...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2c[nH]nn2)c1OC
Show InChI InChI=1S/C28H35N3O6/c1-4-7-20-23(12-9-18-10-13-25(28(32)33)37-26(18)20)35-15-6-16-36-24-14-11-19(22-17-29-31-30-22)27(34-3)21(24)8-5-2/h9,11-12,14,17,25H,4-8,10,13,15-16H2,1-3H3,(H,32,33)(H,29,30,31)
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n/an/a 5.20n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Leukotriene B4 (LTB4) Receptor. Experiment conducted in the absence of NDGA.


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50284121
PNG
(7-[3-(2-Cyclopropylmethyl-3-methoxy-4-methylcarbam...)
Show SMILES CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C29H37NO7/c1-4-6-20-23(12-9-19-10-13-25(29(32)33)37-26(19)20)35-15-5-16-36-24-14-11-21(28(31)30-2)27(34-3)22(24)17-18-7-8-18/h9,11-12,14,18,25H,4-8,10,13,15-17H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 5.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50284124
PNG
(3-{(R)-7-[3-(2-Cyclopropylmethyl-3-methoxy-4-methy...)
Show SMILES CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CC[C@H](CCC(O)=O)Oc12
Show InChI InChI=1S/C31H41NO7/c1-4-6-23-26(14-10-21-9-11-22(39-29(21)23)12-16-28(33)34)37-17-5-18-38-27-15-13-24(31(35)32-2)30(36-3)25(27)19-20-7-8-20/h10,13-15,20,22H,4-9,11-12,16-19H2,1-3H3,(H,32,35)(H,33,34)/t22-/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50052017
PNG
(3-{7-[3-(2-Cyclopropylmethyl-3-methoxy-4-methylcar...)
Show SMILES CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CCC(CCC(O)=O)Oc12
Show InChI InChI=1S/C31H41NO7/c1-4-6-23-26(14-10-21-9-11-22(39-29(21)23)12-16-28(33)34)37-17-5-18-38-27-15-13-24(31(35)32-2)30(36-3)25(27)19-20-7-8-20/h10,13-15,20,22H,4-9,11-12,16-19H2,1-3H3,(H,32,35)(H,33,34)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033742
PNG
(3-{7-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4...)
Show SMILES CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2CCC(CCC(O)=O)Oc12
Show InChI InChI=1S/C32H39NO6S/c1-3-5-25-28(13-9-22-8-10-23(39-31(22)25)11-15-30(34)35)37-16-4-17-38-29-14-12-24(27-19-40-20-33-27)32(36-2)26(29)18-21-6-7-21/h9,12-14,19-21,23H,3-8,10-11,15-18H2,1-2H3,(H,34,35)
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n/an/a 12.3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Leukotriene B4 (LTB4) Receptor. Experiment conducted in the absence of NDGA.


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50037390
PNG
(3-{(S)-2-(2-Carboxy-ethyl)-7-[3-(2-cyclopropylmeth...)
Show SMILES CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CC[C@@H](CCC(O)=O)Oc12
Show InChI InChI=1S/C31H41NO7/c1-4-6-23-26(14-10-21-9-11-22(39-29(21)23)12-16-28(33)34)37-17-5-18-38-27-15-13-24(31(35)32-2)30(36-3)25(27)19-20-7-8-20/h10,13-15,20,22H,4-9,11-12,16-19H2,1-3H3,(H,32,35)(H,33,34)/t22-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033753
PNG
(4-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4-yl...)
Show SMILES CCCc1c2OC(C(O)=O)c2ccc1OCCCOc1ccc(-c2cscn2)c(OC)c1CC1CC1
Show InChI InChI=1S/C28H31NO6S/c1-3-5-19-23(11-9-20-26(19)35-27(20)28(30)31)33-12-4-13-34-24-10-8-18(22-15-36-16-29-22)25(32-2)21(24)14-17-6-7-17/h8-11,15-17,27H,3-7,12-14H2,1-2H3,(H,30,31)
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n/an/a 15.5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Leukotriene B4 (LTB4) Receptor. Experiment conducted in the absence of NDGA.


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033747
PNG
(7-[3-(2-Allyl-3-methoxy-4-thiazol-4-yl-phenoxy)-pr...)
Show SMILES CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC=C)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C29H33NO6S/c1-4-7-21-24(12-9-19-10-13-26(29(31)32)36-27(19)21)34-15-6-16-35-25-14-11-20(23-17-37-18-30-23)28(33-3)22(25)8-5-2/h5,9,11-12,14,17-18,26H,2,4,6-8,10,13,15-16H2,1,3H3,(H,31,32)
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n/an/a 25n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033749
PNG
(3-{7-[3-(3-Methoxy-2-propyl-4-thiazol-4-yl-phenoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(CCC(O)=O)Oc3c2CCC)ccc(-c2cscn2)c1OC
Show InChI InChI=1S/C31H39NO6S/c1-4-7-24-27(14-10-21-9-11-22(38-30(21)24)12-16-29(33)34)36-17-6-18-37-28-15-13-23(26-19-39-20-32-26)31(35-3)25(28)8-5-2/h10,13-15,19-20,22H,4-9,11-12,16-18H2,1-3H3,(H,33,34)
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n/an/a 26n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50013889
PNG
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)
Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033743
PNG
(7-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4-yl...)
Show SMILES CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C30H35NO6S/c1-3-5-22-25(11-8-20-9-12-27(30(32)33)37-28(20)22)35-14-4-15-36-26-13-10-21(24-17-38-18-31-24)29(34-2)23(26)16-19-6-7-19/h8,10-11,13,17-19,27H,3-7,9,12,14-16H2,1-2H3,(H,32,33)
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n/an/a 42n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033743
PNG
(7-[3-(2-Cyclopropylmethyl-3-methoxy-4-thiazol-4-yl...)
Show SMILES CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2CCC(Oc12)C(O)=O
Show InChI InChI=1S/C30H35NO6S/c1-3-5-22-25(11-8-20-9-12-27(30(32)33)37-28(20)22)35-14-4-15-36-26-13-10-21(24-17-38-18-31-24)29(34-2)23(26)16-19-6-7-19/h8,10-11,13,17-19,27H,3-7,9,12,14-16H2,1-2H3,(H,32,33)
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n/an/a 42n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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n/an/a 43n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Leukotriene B4 (LTB4) Receptor. (Experiment conducted in the absence of NDGA)


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033748
PNG
(7-[3-(3-Methoxy-2-propyl-4-thiazol-4-yl-phenoxy)-p...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2cscn2)c1OC
Show InChI InChI=1S/C29H35NO6S/c1-4-7-21-24(12-9-19-10-13-26(29(31)32)36-27(19)21)34-15-6-16-35-25-14-11-20(23-17-37-18-30-23)28(33-3)22(25)8-5-2/h9,11-12,14,17-18,26H,4-8,10,13,15-16H2,1-3H3,(H,31,32)
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n/an/a 93n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033756
PNG
(7-[3-(3-Methoxy-4-oxazol-4-yl-2-propyl-phenoxy)-pr...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2cocn2)c1OC
Show InChI InChI=1S/C29H35NO7/c1-4-7-21-24(12-9-19-10-13-26(29(31)32)37-27(19)21)35-15-6-16-36-25-14-11-20(23-17-34-18-30-23)28(33-3)22(25)8-5-2/h9,11-12,14,17-18,26H,4-8,10,13,15-16H2,1-3H3,(H,31,32)
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n/an/a 100n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033746
PNG
(7-[3-(4-Carbamoyl-3-methoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(N)=O)c1OC
Show InChI InChI=1S/C27H35NO7/c1-4-7-18-21(12-9-17-10-13-23(27(30)31)35-24(17)18)33-15-6-16-34-22-14-11-20(26(28)29)25(32-3)19(22)8-5-2/h9,11-12,14,23H,4-8,10,13,15-16H2,1-3H3,(H2,28,29)(H,30,31)
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n/an/a 140n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018887
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-methoxy-3...)
Show SMILES COc1c(C)cc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1C
Show InChI InChI=1S/C17H19N3O2S/c1-10-8-13(18)12(11(2)16(10)22-3)9-23(21)17-19-14-6-4-5-7-15(14)20-17/h4-8H,9,18H2,1-3H3,(H,19,20)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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n/an/a 300n/an/an/an/an/an/a



G.D. Searle and Co.

Curated by ChEMBL


Assay Description
Compound was evaluated in a human neutrophil leukotriene B4 receptor binding assay


J Med Chem 32: 1145-7 (1989)


BindingDB Entry DOI: 10.7270/Q2XK8DJ1
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033755
PNG
(7-{3-[4-(2-Amino-thiazol-4-yl)-3-methoxy-2-propyl-...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2csc(N)n2)c1OC
Show InChI InChI=1S/C29H36N2O6S/c1-4-7-20-23(12-9-18-10-13-25(28(32)33)37-26(18)20)35-15-6-16-36-24-14-11-19(22-17-38-29(30)31-22)27(34-3)21(24)8-5-2/h9,11-12,14,17,25H,4-8,10,13,15-16H2,1-3H3,(H2,30,31)(H,32,33)
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n/an/a 320n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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n/an/a 320n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033750
PNG
(7-{3-[4-(3H-Imidazol-4-yl)-3-methoxy-2-propyl-phen...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2c[nH]cn2)c1OC
Show InChI InChI=1S/C29H36N2O6/c1-4-7-21-24(12-9-19-10-13-26(29(32)33)37-27(19)21)35-15-6-16-36-25-14-11-20(23-17-30-18-31-23)28(34-3)22(25)8-5-2/h9,11-12,14,17-18,26H,4-8,10,13,15-16H2,1-3H3,(H,30,31)(H,32,33)
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Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018881
PNG
(6-(1H-Benzoimidazole-2-sulfinylmethyl)-2,3-dimethy...)
Show SMILES Cc1ccc(CS(=O)c2nc3ccccc3[nH]2)c(N)c1C
Show InChI InChI=1S/C16H17N3OS/c1-10-7-8-12(15(17)11(10)2)9-21(20)16-18-13-5-3-4-6-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018890
PNG
(CHEMBL282226 | [2-(1H-Benzoimidazole-2-sulfinylmet...)
Show SMILES CNc1ccccc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H15N3OS/c1-16-12-7-3-2-6-11(12)10-20(19)15-17-13-8-4-5-9-14(13)18-15/h2-9,16H,10H2,1H3,(H,17,18)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033758
PNG
(7-{3-[3-Methoxy-2-propyl-4-(1H-pyrazol-3-yl)-pheno...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2cc[nH]n2)c1OC
Show InChI InChI=1S/C29H36N2O6/c1-4-7-21-24(12-9-19-10-13-26(29(32)33)37-27(19)21)35-17-6-18-36-25-14-11-20(23-15-16-30-31-23)28(34-3)22(25)8-5-2/h9,11-12,14-16,26H,4-8,10,13,17-18H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 610n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018871
PNG
(2,3-Dimethyl-6-(5-methyl-1H-benzoimidazole-2-sulfi...)
Show SMILES Cc1ccc2nc([nH]c2c1)S(=O)Cc1ccc(C)c(C)c1N
Show InChI InChI=1S/C17H19N3OS/c1-10-4-7-14-15(8-10)20-17(19-14)22(21)9-13-6-5-11(2)12(3)16(13)18/h4-8H,9,18H2,1-3H3,(H,19,20)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018856
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-3-methyl-ph...)
Show SMILES Cc1cccc(N)c1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H15N3OS/c1-10-5-4-6-12(16)11(10)9-20(19)15-17-13-7-2-3-8-14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018876
PNG
(CHEMBL19577 | [2-(1H-Benzoimidazole-2-sulfinylmeth...)
Show SMILES CN(C)c1ccccc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H17N3OS/c1-19(2)15-10-6-3-7-12(15)11-21(20)16-17-13-8-4-5-9-14(13)18-16/h3-10H,11H2,1-2H3,(H,17,18)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033745
PNG
(7-{3-[4-(2-Benzylsulfanyl-1H-imidazol-4-yl)-3-meth...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2c[nH]c(SCc3ccccc3)n2)c1OC
Show InChI InChI=1S/C36H42N2O6S/c1-4-10-27-30(17-14-25-15-18-32(35(39)40)44-33(25)27)42-20-9-21-43-31-19-16-26(34(41-3)28(31)11-5-2)29-22-37-36(38-29)45-23-24-12-7-6-8-13-24/h6-8,12-14,16-17,19,22,32H,4-5,9-11,15,18,20-21,23H2,1-3H3,(H,37,38)(H,39,40)
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Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Leukotriene B4 (LTB4) Receptor. Experiment conducted in the absence of NDGA.


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033757
PNG
(7-[3-(4-Isoxazol-5-yl-3-methoxy-2-propyl-phenoxy)-...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2ccno2)c1OC
Show InChI InChI=1S/C29H35NO7/c1-4-7-20-23(12-9-19-10-13-26(29(31)32)36-27(19)20)34-17-6-18-35-24-14-11-22(25-15-16-30-37-25)28(33-3)21(24)8-5-2/h9,11-12,14-16,26H,4-8,10,13,17-18H2,1-3H3,(H,31,32)
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n/an/a 770n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018892
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4,6-dimethy...)
Show SMILES Cc1cc(C)c(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C16H17N3OS/c1-10-7-11(2)15(17)12(8-10)9-21(20)16-18-13-5-3-4-6-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018889
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-3,6-dimethy...)
Show SMILES Cc1ccc(C)c(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C16H17N3OS/c1-10-7-8-11(2)15(17)12(10)9-21(20)16-18-13-5-3-4-6-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
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Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033752
PNG
(7-{3-[4-(2-Mercapto-thiazol-4-yl)-3-methoxy-2-prop...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2csc(S)n2)c1OC
Show InChI InChI=1S/C29H35NO6S2/c1-4-7-20-23(12-9-18-10-13-25(28(31)32)36-26(18)20)34-15-6-16-35-24-14-11-19(22-17-38-29(37)30-22)27(33-3)21(24)8-5-2/h9,11-12,14,17,25H,4-8,10,13,15-16H2,1-3H3,(H,30,37)(H,31,32)
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n/an/a 890n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033751
PNG
(7-{3-[3-Methoxy-4-(2-methyl-oxazol-4-yl)-2-propyl-...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2coc(C)n2)c1OC
Show InChI InChI=1S/C30H37NO7/c1-5-8-22-25(13-10-20-11-14-27(30(32)33)38-28(20)22)35-16-7-17-36-26-15-12-21(24-18-37-19(3)31-24)29(34-4)23(26)9-6-2/h10,12-13,15,18,27H,5-9,11,14,16-17H2,1-4H3,(H,32,33)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033754
PNG
(7-{3-[3-Methoxy-4-(2-methoxy-thiazol-4-yl)-2-propy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2csc(OC)n2)c1OC
Show InChI InChI=1S/C30H37NO7S/c1-5-8-21-24(13-10-19-11-14-26(29(32)33)38-27(19)21)36-16-7-17-37-25-15-12-20(23-18-39-30(31-23)35-4)28(34-3)22(25)9-6-2/h10,12-13,15,18,26H,5-9,11,14,16-17H2,1-4H3,(H,32,33)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018891
PNG
(3,6-Dimethyl-2-(5-trifluoromethyl-1H-benzoimidazol...)
Show SMILES Cc1ccc(C)c(CS(=O)c2nc3ccc(cc3[nH]2)C(F)(F)F)c1N
Show InChI InChI=1S/C17H16F3N3OS/c1-9-3-4-10(2)15(21)12(9)8-25(24)16-22-13-6-5-11(17(18,19)20)7-14(13)23-16/h3-7H,8,21H2,1-2H3,(H,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018852
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-methoxy-p...)
Show SMILES COc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C15H15N3O2S/c1-20-11-6-7-12(16)10(8-11)9-21(19)15-17-13-4-2-3-5-14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50241343
PNG
((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018883
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-ethyl-phe...)
Show SMILES CCc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C16H17N3OS/c1-2-11-7-8-13(17)12(9-11)10-21(20)16-18-14-5-3-4-6-15(14)19-16/h3-9H,2,10,17H2,1H3,(H,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018859
PNG
(4-Methoxy-2-(5-methoxy-1H-benzoimidazole-2-sulfiny...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1c(N)cc(C)c(OC)c1C
Show InChI InChI=1S/C18H21N3O3S/c1-10-7-14(19)13(11(2)17(10)24-4)9-25(22)18-20-15-6-5-12(23-3)8-16(15)21-18/h5-8H,9,19H2,1-4H3,(H,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018880
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-methyl-ph...)
Show SMILES Cc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C15H15N3OS/c1-10-6-7-12(16)11(8-10)9-20(19)15-17-13-4-2-3-5-14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018870
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-butyl-phe...)
Show SMILES CCCCc1ccc(N)c(CS(=O)c2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C18H21N3OS/c1-2-3-6-13-9-10-15(19)14(11-13)12-23(22)18-20-16-7-4-5-8-17(16)21-18/h4-5,7-11H,2-3,6,12,19H2,1H3,(H,20,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50018868
PNG
(2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-chloro-6-...)
Show SMILES COc1cc(Cl)c(C)c(CS(=O)c2nc3ccccc3[nH]2)c1N
Show InChI InChI=1S/C16H16ClN3O2S/c1-9-10(15(18)14(22-2)7-11(9)17)8-23(21)16-19-12-5-3-4-6-13(12)20-16/h3-7H,8,18H2,1-2H3,(H,19,20)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa


J Med Chem 31: 1215-20 (1988)


BindingDB Entry DOI: 10.7270/Q2QR4W3B
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))
BDBM50033759
PNG
(7-{3-[3-Methoxy-4-(2-methylsulfanyl-thiazol-4-yl)-...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(-c2csc(SC)n2)c1OC
Show InChI InChI=1S/C30H37NO6S2/c1-5-8-21-24(13-10-19-11-14-26(29(32)33)37-27(19)21)35-16-7-17-36-25-15-12-20(23-18-39-30(31-23)38-4)28(34-3)22(25)9-6-2/h10,12-13,15,18,26H,5-9,11,14,16-17H2,1-4H3,(H,32,33)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for Leukotriene B4 (LTB4) receptor


J Med Chem 38: 858-68 (1995)


BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
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