Reaction Details Report a problem with these data
Target
Cytosolic phospholipase A2
Ligand
BDBM50180081
Substrate
n/a
Meas. Tech.
ChEMBL_330030 (CHEMBL853015)
IC50
800±n/a nM
Citation
 McKew, JC; Foley, MA; Thakker, P; Behnke, ML; Lovering, FE; Sum, FW; Tam, S; Wu, K; Shen, MW; Zhang, W; Gonzalez, M; Liu, S; Mahadevan, A; Sard, H; Khor, SP; Clark, JD Inhibition of cytosolic phospholipase A2alpha: hit to lead optimization. J Med Chem 49:135-58 (2006) [PubMed]  Article 
Target
Name:
Cytosolic phospholipase A2
Synonyms:
CPLA2 | Lysophospholipase | PA24A_HUMAN | PLA2G4 | PLA2G4A | Phosphatidylcholine 2-acylhydrolase | Phospholipase A2 | Phospholipase A2 group IVA
Type:
Protein
Mol. Mass.:
85219.30
Organism:
Homo sapiens (Human)
Description:
P47712
Residue:
749
Sequence:
MSFIDPYQHIIVEHQYSHKFTVVVLRATKVTKGAFGDMLDTPDPYVELFISTTPDSRKRTRHFNNDINPVWNETFEFILDPNQENVLEITLMDANYVMDETLGTATFTVSSMKVGEKKEVPFIFNQVTEMVLEMSLEVCSCPDLRFSMALCDQEKTFRQQRKEHIRESMKKLLGPKNSEGLHSARDVPVVAILGSGGGFRAMVGFSGVMKALYESGILDCATYVAGLSGSTWYMSTLYSHPDFPEKGPEEINEELMKNVSHNPLLLLTPQKVKRYVESLWKKKSSGQPVTFTDIFGMLIGETLIHNRMNTTLSSLKEKVNTAQCPLPLFTCLHVKPDVSELMFADWVEFSPYEIGMAKYGTFMAPDLFGSKFFMGTVVKKYEENPLHFLMGVWGSAFSILFNRVLGVSGSQSRGSTMEEELENITTKHIVSNDSSDSDDESHEPKGTENEDAGSDYQSDNQASWIHRMIMALVSDSALFNTREGRAGKVHNFMLGLNLNTSYPLSPLSDFATQDSFDDDELDAAVADPDEFERIYEPLDVKSKKIHVVDSGLTFNLPYPLILRPQRGVDLIISFDFSARPSDSSPPFKELLLAEKWAKMNKLPFPKIDPYVFDREGLKECYVFKPKNPDMEKDCPTIIHFVLANINFRKYRAPGVPRETEEEKEIADFDIFDDPESPFSTFNFQYPNQAFKRLHDLMHFNTLNNIDVIKEAMVESIEYRRQNPSRCSVSLSNVEARRFFNKEFLSKPKA
  
Inhibitor
Name:
BDBM50180081
Synonyms:
4-(2-(1-benzhydryl-5-chloro-2-methyl-1H-indol-3-yl)ethylsulfonyl)benzoic acid | 4-[[2-[5-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]ethyl]sulfonyl]benzoic acid | CHEMBL372790
Type:
Small organic molecule
Emp. Form.:
C31H26ClNO4S
Mol. Mass.:
544.06
SMILES:
Cc1c(CCS(=O)(=O)c2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Structure:
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