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BDBM50149993 CHEMBL181612::[4-(4-Benzyloxy-phenyl)-1-hydroxy-3-((Z)-(S)-octadec-9-enoylamino)-butyl]-phosphonic acid

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CC(=O)P(O)(O)O)Cc1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=HMDSCCAPZKTBAM-WDCKUFQWSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50149993   
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
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50149993
PNG
(CHEMBL181612 | [4-(4-Benzyloxy-phenyl)-1-hydroxy-3...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CC(=O)P(O)(O)O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C35H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(37)36-32(28-35(38)43(39,40)41)27-30-23-25-33(26-24-30)42-29-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32,39-41,43H,2-8,11-15,19,22,27-29H2,1H3,(H,36,37)/b10-9-/t32-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
232n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Binding affinity towards Lysophosphatidic acid 3 (LPA3) receptor


Bioorg Med Chem Lett 14: 4069-74 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.023
BindingDB Entry DOI: 10.7270/Q2930SM1
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50149993
PNG
(CHEMBL181612 | [4-(4-Benzyloxy-phenyl)-1-hydroxy-3...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CC(=O)P(O)(O)O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C35H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(37)36-32(28-35(38)43(39,40)41)27-30-23-25-33(26-24-30)42-29-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32,39-41,43H,2-8,11-15,19,22,27-29H2,1H3,(H,36,37)/b10-9-/t32-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.23E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lysophosphatidic acid 1 (LPA1) receptor


Bioorg Med Chem Lett 14: 4069-74 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.023
BindingDB Entry DOI: 10.7270/Q2930SM1
More data for this
Ligand-Target Pair