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SMILES: O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(F)ccc1NS(=O)(=O)C(F)(F)F

InChI Key: InChIKey=DRFBYJUAOGDDQU-KSFYIVLOSA-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 = 50215863   
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))		BDBM50215863
PNG
(CHEMBL52449)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO4S/c24-17-7-9-20(28-33(30,31)23(25,26)27)19(12-17)15-6-8-18-21(11-15)32-13-16(22(18)29)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28-29H,10,13H2/t16-,22+/m0/s1
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n/an/a 44n/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))		BDBM50215863
PNG
(CHEMBL52449)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO4S/c24-17-7-9-20(28-33(30,31)23(25,26)27)19(12-17)15-6-8-18-21(11-15)32-13-16(22(18)29)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28-29H,10,13H2/t16-,22+/m0/s1
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n/an/a 44n/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))		BDBM50215863
PNG
(CHEMBL52449)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO4S/c24-17-7-9-20(28-33(30,31)23(25,26)27)19(12-17)15-6-8-18-21(11-15)32-13-16(22(18)29)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28-29H,10,13H2/t16-,22+/m0/s1
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n/an/a>3.00E+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))		BDBM50215863
PNG
(CHEMBL52449)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO4S/c24-17-7-9-20(28-33(30,31)23(25,26)27)19(12-17)15-6-8-18-21(11-15)32-13-16(22(18)29)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28-29H,10,13H2/t16-,22+/m0/s1
PDB

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n/an/a 360n/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))		BDBM50215863
PNG
(CHEMBL52449)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO4S/c24-17-7-9-20(28-33(30,31)23(25,26)27)19(12-17)15-6-8-18-21(11-15)32-13-16(22(18)29)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28-29H,10,13H2/t16-,22+/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem

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n/an/a 50n/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))		BDBM50215863
PNG
(CHEMBL52449)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO4S/c24-17-7-9-20(28-33(30,31)23(25,26)27)19(12-17)15-6-8-18-21(11-15)32-13-16(22(18)29)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28-29H,10,13H2/t16-,22+/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
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n/an/a 50n/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))		BDBM50215863
PNG
(CHEMBL52449)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO4S/c24-17-7-9-20(28-33(30,31)23(25,26)27)19(12-17)15-6-8-18-21(11-15)32-13-16(22(18)29)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28-29H,10,13H2/t16-,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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CHEMBL
PC cid
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n/an/a>3.00E+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

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))		BDBM50215863
PNG
(CHEMBL52449)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1cc(F)ccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO4S/c24-17-7-9-20(28-33(30,31)23(25,26)27)19(12-17)15-6-8-18-21(11-15)32-13-16(22(18)29)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28-29H,10,13H2/t16-,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 330n/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