BindingDB logo
myBDB logout

PubMed code 14643356

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136721
PNG
(4-(1-Benzhydryl-5-chloro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136724
PNG
(4-(1-Benzhydryl-5-methyl-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12)C(O)=O
Show InChI InChI=1S/C31H27NO3/c1-21-13-16-28-27(17-21)26(18-24-14-15-25(31(33)34)19-29(24)35-2)20-32(28)30(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-17,19-20,30H,18H2,1-2H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136721
PNG
(4-(1-Benzhydryl-5-chloro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136722
PNG
(4-(1-Benzhydryl-5-bromo-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C30H24BrNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136727
PNG
(4-(1-Benzhydryl-5-nitro-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C30H24N2O5/c1-37-28-17-23(30(33)34)13-12-22(28)16-24-19-31(27-15-14-25(32(35)36)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136721
PNG
(4-(1-Benzhydryl-5-chloro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136727
PNG
(4-(1-Benzhydryl-5-nitro-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C30H24N2O5/c1-37-28-17-23(30(33)34)13-12-22(28)16-24-19-31(27-15-14-25(32(35)36)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 500n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in mast cell line MC-9 assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136722
PNG
(4-(1-Benzhydryl-5-bromo-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C30H24BrNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 600n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136723
PNG
(4-(1-Benzhydryl-5-cyano-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)C#N)C(O)=O
Show InChI InChI=1S/C31H24N2O3/c1-36-29-18-25(31(34)35)14-13-24(29)17-26-20-33(28-15-12-21(19-32)16-27(26)28)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,18,20,30H,17H2,1H3,(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136730
PNG
(4-((1-benzhydryl-6-chloro-1H-indol-3-yl)methyl)-3-...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-18-25(31)14-15-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136723
PNG
(4-(1-Benzhydryl-5-cyano-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)C#N)C(O)=O
Show InChI InChI=1S/C31H24N2O3/c1-36-29-18-25(31(34)35)14-13-24(29)17-26-20-33(28-15-12-21(19-32)16-27(26)28)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,18,20,30H,17H2,1H3,(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in human neutrophils PMN assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136723
PNG
(4-(1-Benzhydryl-5-cyano-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)C#N)C(O)=O
Show InChI InChI=1S/C31H24N2O3/c1-36-29-18-25(31(34)35)14-13-24(29)17-26-20-33(28-15-12-21(19-32)16-27(26)28)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,18,20,30H,17H2,1H3,(H,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136724
PNG
(4-(1-Benzhydryl-5-methyl-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12)C(O)=O
Show InChI InChI=1S/C31H27NO3/c1-21-13-16-28-27(17-21)26(18-24-14-15-25(31(33)34)19-29(24)35-2)20-32(28)30(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-17,19-20,30H,18H2,1-2H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 900n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in mast cell line MC-9 assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136724
PNG
(4-(1-Benzhydryl-5-methyl-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(C)cc12)C(O)=O
Show InChI InChI=1S/C31H27NO3/c1-21-13-16-28-27(17-21)26(18-24-14-15-25(31(33)34)19-29(24)35-2)20-32(28)30(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-17,19-20,30H,18H2,1-2H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 900n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against cystolic phospholipase A2 alpha receptor (c-PLA2 alpha) using coumarin assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136740
PNG
(4-(1-Benzhydryl-5-fluoro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(F)cc12)C(O)=O
Show InChI InChI=1S/C30H24FNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136722
PNG
(4-(1-Benzhydryl-5-bromo-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C30H24BrNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in mast cell line MC-9 assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136739
PNG
(4-(1-Benzhydryl-5-methoxy-1H-indol-3-ylmethyl)-3-m...)
Show SMILES COc1ccc2n(cc(Cc3ccc(cc3OC)C(O)=O)c2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H27NO4/c1-35-26-15-16-28-27(19-26)25(17-23-13-14-24(31(33)34)18-29(23)36-2)20-32(28)30(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18-20,30H,17H2,1-2H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136732
PNG
(4-(1-Benzhydryl-5-methanesulfonyl-1H-indol-3-ylmet...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C31H27NO5S/c1-37-29-18-24(31(33)34)14-13-23(29)17-25-20-32(28-16-15-26(19-27(25)28)38(2,35)36)30(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18-20,30H,17H2,1-2H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136741
PNG
(4-(1-Benzhydryl-7-chloro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2c(Cl)cccc12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-27-18-23(30(33)34)16-15-22(27)17-24-19-32(29-25(24)13-8-14-26(29)31)28(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-16,18-19,28H,17H2,1H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 1


(Homo sapiens (Human))		BDBM50136727
PNG
(4-(1-Benzhydryl-5-nitro-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C30H24N2O5/c1-37-28-17-23(30(33)34)13-12-22(28)16-24-19-31(27-15-14-25(32(35)36)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against LTB4 receptor determined in mast cell line MC-9 assay

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136733
PNG
(4-(1-Benzhydryl-1H-indol-3-ylmethyl)-3-methoxy-ben...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccccc12)C(O)=O
Show InChI InChI=1S/C30H25NO3/c1-34-28-19-24(30(32)33)17-16-23(28)18-25-20-31(27-15-9-8-14-26(25)27)29(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-17,19-20,29H,18H2,1H3,(H,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136726
PNG
(4-(1-Benzhydryl-4-chloro-1H-indol-3-ylmethyl)-3-me...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2cccc(Cl)c12)C(O)=O
Show InChI InChI=1S/C30H24ClNO3/c1-35-27-18-23(30(33)34)16-15-22(27)17-24-19-32(26-14-8-13-25(31)28(24)26)29(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-16,18-19,29H,17H2,1H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136737
PNG
(4-(1-Benzhydryl-5-cyclopentyloxycarbonylamino-1H-i...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C36H34N2O5/c1-42-33-21-27(35(39)40)17-16-26(33)20-28-23-38(34(24-10-4-2-5-11-24)25-12-6-3-7-13-25)32-19-18-29(22-31(28)32)37-36(41)43-30-14-8-9-15-30/h2-7,10-13,16-19,21-23,30,34H,8-9,14-15,20H2,1H3,(H,37,41)(H,39,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136731
PNG
(CHEMBL345056 | {1-Benzhydryl-3-[2-methoxy-4-(tolue...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C43H41N3O6S/c1-29-13-9-12-20-40(29)53(49,50)45-42(47)33-22-21-32(39(26-33)51-2)25-34-28-46(41(30-14-5-3-6-15-30)31-16-7-4-8-17-31)38-24-23-35(27-37(34)38)44-43(48)52-36-18-10-11-19-36/h3-9,12-17,20-24,26-28,36,41H,10-11,18-19,25H2,1-2H3,(H,44,48)(H,45,47)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136735
PNG
(4-[1-Benzhydryl-5-(3-butyl-ureido)-1H-indol-3-ylme...)
Show SMILES CCCCNC(=O)Nc1ccc2n(cc(Cc3ccc(cc3OC)C(O)=O)c2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H35N3O4/c1-3-4-19-36-35(41)37-29-17-18-31-30(22-29)28(20-26-15-16-27(34(39)40)21-32(26)42-2)23-38(31)33(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-18,21-23,33H,3-4,19-20H2,1-2H3,(H,39,40)(H2,36,37,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136736
PNG
(CHEMBL140797 | {1-Cyclopentyl-3-[2-methoxy-4-(tolu...)
Show SMILES COc1cc(ccc1Cc1cn(C2CCCC2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C35H39N3O6S/c1-23-9-3-8-14-33(23)45(41,42)37-34(39)25-16-15-24(32(20-25)43-2)19-26-22-38(28-10-4-5-11-28)31-18-17-27(21-30(26)31)36-35(40)44-29-12-6-7-13-29/h3,8-9,14-18,20-22,28-29H,4-7,10-13,19H2,1-2H3,(H,36,40)(H,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136728
PNG
(4-(1-Benzhydryl-5-methanesulfonylamino-1H-indol-3-...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(NS(C)(=O)=O)cc12)C(O)=O
Show InChI InChI=1S/C31H28N2O5S/c1-38-29-18-24(31(34)35)14-13-23(29)17-25-20-33(28-16-15-26(19-27(25)28)32-39(2,36)37)30(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18-20,30,32H,17H2,1-2H3,(H,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136725
PNG
(CHEMBL334902 | {1-Cyclopropylmethyl-3-[2-methoxy-4...)
Show SMILES COc1cc(ccc1Cc1cn(CC2CC2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C34H37N3O6S/c1-22-7-3-6-10-32(22)44(40,41)36-33(38)25-14-13-24(31(18-25)42-2)17-26-21-37(20-23-11-12-23)30-16-15-27(19-29(26)30)35-34(39)43-28-8-4-5-9-28/h3,6-7,10,13-16,18-19,21,23,28H,4-5,8-9,11-12,17,20H2,1-2H3,(H,35,39)(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136734
PNG
(4-(1-Benzhydryl-5-dimethylamino-1H-indol-3-ylmethy...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(cc12)N(C)C)C(O)=O
Show InChI InChI=1S/C32H30N2O3/c1-33(2)27-16-17-29-28(20-27)26(18-24-14-15-25(32(35)36)19-30(24)37-3)21-34(29)31(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,19-21,31H,18H2,1-3H3,(H,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136729
PNG
(CHEMBL140298 | {3-[2-Methoxy-4-(toluene-2-sulfonyl...)
Show SMILES COc1cc(ccc1Cc1cn(Cc2ccncc2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C36H36N4O6S/c1-24-7-3-6-10-34(24)47(43,44)39-35(41)27-12-11-26(33(20-27)45-2)19-28-23-40(22-25-15-17-37-18-16-25)32-14-13-29(21-31(28)32)38-36(42)46-30-8-4-5-9-30/h3,6-7,10-18,20-21,23,30H,4-5,8-9,19,22H2,1-2H3,(H,38,42)(H,39,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50136738
PNG
(4-(5-Amino-1-benzhydryl-1H-indol-3-ylmethyl)-3-met...)
Show SMILES COc1cc(ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(N)cc12)C(O)=O
Show InChI InChI=1S/C30H26N2O3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16,31H2,1H3,(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))		BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 8.50E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of cystolic phospholipase A2 alpha.

Bioorg Med Chem Lett 13: 4501-4 (2003)


BindingDB Entry DOI: 10.7270/Q2W095BN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%