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BDBM50150001 CHEMBL360131::Phosphoric acid mono-{2-((Z)-(R)-octadec-9-enoylamino)-3-[4-(quinolin-2-ylmethoxy)-phenyl]-propyl} ester

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1

InChI Key: InChIKey=NIZPHDRZMFQVLV-KBGVDSEZSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50150001   
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))
BDBM50150001
PNG
(CHEMBL360131 | Phosphoric acid mono-{2-((Z)-(R)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C37H53N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-37(40)39-34(30-45-46(41,42)43)28-31-22-26-35(27-23-31)44-29-33-25-24-32-19-17-18-20-36(32)38-33/h9-10,17-20,22-27,34H,2-8,11-16,21,28-30H2,1H3,(H,39,40)(H2,41,42,43)/b10-9-/t34-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
533n/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))
BDBM50150001
PNG
(CHEMBL360131 | Phosphoric acid mono-{2-((Z)-(R)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C37H53N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-37(40)39-34(30-45-46(41,42)43)28-31-22-26-35(27-23-31)44-29-33-25-24-32-19-17-18-20-36(32)38-33/h9-10,17-20,22-27,34H,2-8,11-16,21,28-30H2,1H3,(H,39,40)(H2,41,42,43)/b10-9-/t34-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.43E+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