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BDBM50215737 CHEMBL50425

SMILES: O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(Cl)ccc1C(O)=O

InChI Key: InChIKey=MYBPPTDUKUIWHM-RBISFHTESA-N

Data: 8 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50215737   
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


(Homo sapiens (Human))
BDBM50215737
PNG
(CHEMBL50425)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C29H23ClO4/c30-23-11-13-24(29(32)33)26(16-23)21-10-12-25-27(15-21)34-17-22(28(25)31)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,31H,14,17H2,(H,32,33)/t22-,28+/m0/s1
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils in whole blood


Bioorg Med Chem Lett 8: 1781-6 (1998)


BindingDB Entry DOI: 10.7270/Q2RR21F1
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50215737
PNG
(CHEMBL50425)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C29H23ClO4/c30-23-11-13-24(29(32)33)26(16-23)21-10-12-25-27(15-21)34-17-22(28(25)31)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,31H,14,17H2,(H,32,33)/t22-,28+/m0/s1
PDB

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PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils in whole blood


Bioorg Med Chem Lett 8: 1781-6 (1998)


BindingDB Entry DOI: 10.7270/Q2RR21F1
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50215737
PNG
(CHEMBL50425)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C29H23ClO4/c30-23-11-13-24(29(32)33)26(16-23)21-10-12-25-27(15-21)34-17-22(28(25)31)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,31H,14,17H2,(H,32,33)/t22-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
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PubMed
n/an/a 520n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils


Bioorg Med Chem Lett 8: 1781-6 (1998)


BindingDB Entry DOI: 10.7270/Q2RR21F1
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50215737
PNG
(CHEMBL50425)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C29H23ClO4/c30-23-11-13-24(29(32)33)26(16-23)21-10-12-25-27(15-21)34-17-22(28(25)31)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,31H,14,17H2,(H,32,33)/t22-,28+/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4 binding to LTB receptors on isolated human neutrophils.


Bioorg Med Chem Lett 8: 1781-6 (1998)


BindingDB Entry DOI: 10.7270/Q2RR21F1
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50215737
PNG
(CHEMBL50425)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C29H23ClO4/c30-23-11-13-24(29(32)33)26(16-23)21-10-12-25-27(15-21)34-17-22(28(25)31)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,31H,14,17H2,(H,32,33)/t22-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 26n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4-induced chemotaxis of isolated human neutrophils.


Bioorg Med Chem Lett 8: 1781-6 (1998)


BindingDB Entry DOI: 10.7270/Q2RR21F1
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50215737
PNG
(CHEMBL50425)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C29H23ClO4/c30-23-11-13-24(29(32)33)26(16-23)21-10-12-25-27(15-21)34-17-22(28(25)31)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,31H,14,17H2,(H,32,33)/t22-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4-induced chemotaxis of isolated human neutrophils.


Bioorg Med Chem Lett 8: 1781-6 (1998)


BindingDB Entry DOI: 10.7270/Q2RR21F1
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50215737
PNG
(CHEMBL50425)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C29H23ClO4/c30-23-11-13-24(29(32)33)26(16-23)21-10-12-25-27(15-21)34-17-22(28(25)31)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,31H,14,17H2,(H,32,33)/t22-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4 binding to LTB receptors on isolated human neutrophils.


Bioorg Med Chem Lett 8: 1781-6 (1998)


BindingDB Entry DOI: 10.7270/Q2RR21F1
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50215737
PNG
(CHEMBL50425)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C29H23ClO4/c30-23-11-13-24(29(32)33)26(16-23)21-10-12-25-27(15-21)34-17-22(28(25)31)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,31H,14,17H2,(H,32,33)/t22-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 590n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4-induced CD11b up-regulation on isolated human neutrophils


Bioorg Med Chem Lett 8: 1781-6 (1998)


BindingDB Entry DOI: 10.7270/Q2RR21F1
More data for this
Ligand-Target Pair