Reaction Details Report a problem with these data
Target
Group 3 secretory phospholipase A2
Ligand
BDBM114598
Substrate
n/a
Meas. Tech.
QFRET-based biochemical high throughput dose response assay to identify inhibitors of human group III secreted phospholipase A2 enzyme (HGIII-sPLA2)
IC50
40603±n/a nM
Citation
 PubChem, PC QFRET-based biochemical high throughput dose response assay to identify inhibitors of human group III secreted phospholipase A2 enzyme (HGIII-sPLA2) PubChem Bioassay (2014)[AID] 
Target
Name:
Group 3 secretory phospholipase A2
Synonyms:
3.1.1.4 | GIII sPLA2 | Group III secretory phopholipase A2 | Group III secretory phospholipase A2 | PA2G3_HUMAN | PLA2G3 | Phosphatidylcholine 2-acylhydrolase 3 | phospholipase A2, group III | sPLA2-III
Type:
PROTEIN
Mol. Mass.:
57196.58
Organism:
Homo sapiens
Description:
ChEMBL_119722
Residue:
509
Sequence:
MGVQAGLFGMLGFLGVALGGSPALRWYRTSCHLTKAVPGNPLGYLSFLAKDAQGLALIHARWDAHRRLQSCSWEDEPELTAAYGALCAHETAWGSFIHTPGPELQRALATLQSQWEACRALEESPAGARKKRAAGQSGVPGGGHQREKRGWTMPGTLWCGVGDSAGNSSELGVFQGPDLCCREHDRCPQNISPLQYNYGIRNYRFHTISHCDCDTRFQQCLQNQHDSISDIVGVAFFNVLEIPCFVLEEQEACVAWYWWGGCRMYGTVPLARLQPRTFYNASWSSRATSPTPSSRSPAPPKPRQKQHLRKGPPHQKGSKRPSKANTTALQDPMVSPRLDVAPTGLQGPQGGLKPQGARWVCRSFRRHLDQCEHQIGPREIEFQLLNSAQEPLFHCNCTRRLARFLRLHSPPEVTNMLWELLGTTCFKLAPPLDCVEGKNCSRDPRAIRVSARHLRRLQQRRHQLQDKGTDERQPWPSEPLRGPMSFYNQCLQLTQAARRPDRQQKSWSQ
  
Inhibitor
Name:
BDBM114598
Synonyms:
1-[2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-thiourea | 1-[[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-3-phenylthiourea | 1-[[2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-phenylthiourea | 1-[[2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetyl]amino]-3-phenyl-thiourea | MLS003128403 | SMR001836445 | cid_4429485
Type:
Small organic molecule
Emp. Form.:
C24H21N5O3S2
Mol. Mass.:
491.585
SMILES:
COc1ccc(cc1)-n1c(SCC(=O)NNC(=S)Nc2ccccc2)nc2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: