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3 similar compounds to monomer 50085986

Compile data set for download or QSAR
Wt: 794.9
BDBM50085980
Wt: 838.9
BDBM50085993
Wt: 812.9
BDBM50085994

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50085980,50085993,50085994   
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
cPLA2 C2


(Homo sapiens (Human))
BDBM50085993
PNG
((E)-N-(((2S,4R)-4-((biphenyl-2-ylmethyl)(isobutyl)...)
Show SMILES CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)C=Cc2ccc(C=C3SC(O)=NC3=O)cc2)N(C1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C49H44F2N4O5S/c1-31(2)28-54(29-35-12-6-7-13-39(35)34-10-4-3-5-11-34)38-26-37(27-52-45(56)23-20-32-16-18-33(19-17-32)24-44-47(58)53-49(60)61-44)55(30-38)48(59)41-15-9-8-14-40(41)46(57)42-22-21-36(50)25-43(42)51/h3-25,31,37-38H,26-30H2,1-2H3,(H,52,56)(H,53,58,60)/t37-,38+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human cPLA2 alpha using Enzyme assay(PC/DOG assay)


J Med Chem 43: 1041-4 (2000)


Article DOI: 10.1021/jm9905155
BindingDB Entry DOI: 10.7270/Q27P8XMZ
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50085993
PNG
((E)-N-(((2S,4R)-4-((biphenyl-2-ylmethyl)(isobutyl)...)
Show SMILES CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)C=Cc2ccc(C=C3SC(O)=NC3=O)cc2)N(C1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C49H44F2N4O5S/c1-31(2)28-54(29-35-12-6-7-13-39(35)34-10-4-3-5-11-34)38-26-37(27-52-45(56)23-20-32-16-18-33(19-17-32)24-44-47(58)53-49(60)61-44)55(30-38)48(59)41-15-9-8-14-40(41)46(57)42-22-21-36(50)25-43(42)51/h3-25,31,37-38H,26-30H2,1-2H3,(H,52,56)(H,53,58,60)/t37-,38+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2 from human platelets by RP-HPLC


Bioorg Med Chem 18: 945-52 (2010)


Article DOI: 10.1016/j.bmc.2009.11.028
BindingDB Entry DOI: 10.7270/Q2N016MF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50085994
PNG
(CHEMBL8970 | N-{4-(Biphenyl-2-ylmethyl-isobutyl-am...)
Show SMILES CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(O)=NC3=O)cc2)N(C1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C47H42F2N4O5S/c1-29(2)26-52(27-33-12-6-7-13-37(33)31-10-4-3-5-11-31)36-24-35(25-50-44(55)32-18-16-30(17-19-32)22-42-45(56)51-47(58)59-42)53(28-36)46(57)39-15-9-8-14-38(39)43(54)40-21-20-34(48)23-41(40)49/h3-23,29,35-36H,24-28H2,1-2H3,(H,50,55)(H,51,56,58)/t35-,36+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human cPLA2 alpha using Enzyme assay(PC/DOG assay)


J Med Chem 43: 1041-4 (2000)


Article DOI: 10.1021/jm9905155
BindingDB Entry DOI: 10.7270/Q27P8XMZ
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50085980
PNG
(CHEMBL428996 | N-{4-(Biphenyl-2-ylmethyl-isobutyl-...)
Show SMILES CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(O)=NC3=O)cc2)N(C1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C47H43FN4O5S/c1-30(2)27-51(28-35-12-6-7-13-39(35)32-10-4-3-5-11-32)38-25-37(26-49-44(54)34-18-16-31(17-19-34)24-42-45(55)50-47(57)58-42)52(29-38)46(56)41-15-9-8-14-40(41)43(53)33-20-22-36(48)23-21-33/h3-24,30,37-38H,25-29H2,1-2H3,(H,49,54)(H,50,55,57)/t37-,38+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human cPLA2 alpha using Enzyme assay(PC/DOG assay)


J Med Chem 43: 1041-4 (2000)


Article DOI: 10.1021/jm9905155
BindingDB Entry DOI: 10.7270/Q27P8XMZ
More data for this
Ligand-Target Pair