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BDBM50029482 6-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]-5-(2-carboxy-ethyl)-9-oxo-9H-xanthene-2-carboxylic acid::CHEMBL88337::LY-282210

SMILES: CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O

InChI Key: InChIKey=HGMXXGVRUCAMMK-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50029482   
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
Leukotriene B4 receptor


(HUMAN)
BDBM50029482
PNG
(6-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O
Show InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)
UniProtKB/SwissProt

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PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]-LTB4 to guinea pig lung membranes expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50029482
PNG
(6-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O
Show InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)
UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition of specific binding of [3H]-LTB4 to guinea pig lung membranes expressing LTB4 receptor


J Med Chem 36: 3982-4 (1994)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(HUMAN)
BDBM50029482
PNG
(6-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O
Show InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)
UniProtKB/SwissProt

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PC sid
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PubMed
n/an/a 47n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced up-regulation of human neutrophil CD11b/CD18 integrin


J Med Chem 36: 3982-4 (1994)


Article DOI: 10.1021/jm00076a030
BindingDB Entry DOI: 10.7270/Q2H1313H
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50029482
PNG
(6-[3-(4-Acetyl-2-ethyl-5-hydroxy-phenoxy)-propoxy]...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(oc3ccc(cc3c2=O)C(O)=O)c1CCC(O)=O
Show InChI InChI=1S/C30H28O10/c1-3-17-13-21(16(2)31)23(32)15-26(17)39-12-4-11-38-24-9-6-20-28(35)22-14-18(30(36)37)5-8-25(22)40-29(20)19(24)7-10-27(33)34/h5-6,8-9,13-15,32H,3-4,7,10-12H2,1-2H3,(H,33,34)(H,36,37)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4n/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