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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'LTB4R' and Ligand = 'BDBM50033743'   
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
LTB4R


(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)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)


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


(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)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)


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


(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)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)


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