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8 similar compounds to monomer 50033743

Compile data set for download or QSAR
Wt: 565.7
BDBM50033742
Wt: 523.6
BDBM50033747
Wt: 525.6
BDBM50033748
Wt: 553.7
BDBM50033749
Wt: 557.7
BDBM50033752
Wt: 555.6
BDBM50033754
Wt: 540.6
BDBM50033755
Wt: 571.7
BDBM50033759

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50033742,50033747,50033748,50033749,50033752,50033754,50033755,50033759   
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))
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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Article
PubMed
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)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
LTB4R


(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)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
LTB4R


(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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PubMed
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)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
LTB4R


(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)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
LTB4R


(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)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
LTB4R


(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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PubMed
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)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
LTB4R


(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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Article
PubMed
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)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair
LTB4R


(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)
UniProtKB/SwissProt

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PC cid
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Article
PubMed
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)


Article DOI: 10.1021/jm00006a002
BindingDB Entry DOI: 10.7270/Q22806N0
More data for this
Ligand-Target Pair