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

InChI Key: InChIKey=AIVPYNSKNQQADZ-RBISFHTESA-N

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 = 50215853   
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 1/2


(Homo sapiens (Human))		BDBM50215853
PNG
(CHEMBL417364)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(ccc1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C30H23F3O4/c31-30(32,33)23-11-13-24(29(35)36)26(16-23)21-10-12-25-27(15-21)37-17-22(28(25)34)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,34H,14,17H2,(H,35,36)/t22-,28+/m0/s1
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n/an/a 7n/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 1/2


(Homo sapiens (Human))		BDBM50215853
PNG
(CHEMBL417364)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(ccc1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C30H23F3O4/c31-30(32,33)23-11-13-24(29(35)36)26(16-23)21-10-12-25-27(15-21)37-17-22(28(25)34)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,34H,14,17H2,(H,35,36)/t22-,28+/m0/s1
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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 1/2


(Homo sapiens (Human))		BDBM50215853
PNG
(CHEMBL417364)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(ccc1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C30H23F3O4/c31-30(32,33)23-11-13-24(29(35)36)26(16-23)21-10-12-25-27(15-21)37-17-22(28(25)34)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,34H,14,17H2,(H,35,36)/t22-,28+/m0/s1
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n/an/a 27n/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 1/2


(Homo sapiens (Human))		BDBM50215853
PNG
(CHEMBL417364)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(ccc1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C30H23F3O4/c31-30(32,33)23-11-13-24(29(35)36)26(16-23)21-10-12-25-27(15-21)37-17-22(28(25)34)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,34H,14,17H2,(H,35,36)/t22-,28+/m0/s1
PDB

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n/an/a 820n/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 1/2


(Homo sapiens (Human))		BDBM50215853
PNG
(CHEMBL417364)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(ccc1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C30H23F3O4/c31-30(32,33)23-11-13-24(29(35)36)26(16-23)21-10-12-25-27(15-21)37-17-22(28(25)34)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,34H,14,17H2,(H,35,36)/t22-,28+/m0/s1
PDB

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n/an/a 1.90E+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 1/2


(Homo sapiens (Human))		BDBM50215853
PNG
(CHEMBL417364)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(ccc1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C30H23F3O4/c31-30(32,33)23-11-13-24(29(35)36)26(16-23)21-10-12-25-27(15-21)37-17-22(28(25)34)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,34H,14,17H2,(H,35,36)/t22-,28+/m0/s1
PDB

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n/an/a 4.00E+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 1/2


(Homo sapiens (Human))		BDBM50215853
PNG
(CHEMBL417364)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(ccc1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C30H23F3O4/c31-30(32,33)23-11-13-24(29(35)36)26(16-23)21-10-12-25-27(15-21)37-17-22(28(25)34)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,34H,14,17H2,(H,35,36)/t22-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
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n/an/a 120n/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 1/2


(Homo sapiens (Human))		BDBM50215853
PNG
(CHEMBL417364)
Show SMILES O[C@@H]1[C@@H](Cc2ccc(cc2)-c2ccccc2)COc2cc(ccc12)-c1cc(ccc1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C30H23F3O4/c31-30(32,33)23-11-13-24(29(35)36)26(16-23)21-10-12-25-27(15-21)37-17-22(28(25)34)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,15-16,22,28,34H,14,17H2,(H,35,36)/t22-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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n/an/a 38n/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