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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysophosphatidic acid receptor 1' and Ligand = 'BDBM50496698'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50496698
PNG
(CHEMBL3218459)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1 |r|
Show InChI InChI=1S/C35H54F3N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(41)40-31(27-47-48(42,43)44)24-29-18-20-32(21-19-29)45-26-30-25-33(22-23-39-30)46-28-35(36,37)38/h18-23,25,31H,2-17,24,26-28H2,1H3,(H,40,41)(H2,42,43,44)/t31-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
 84n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Competitive antagonist activity at human LPA1 receptor overexpressed in CHO cells assessed as inhibition of LPA-induced [35S]GTPgammaS binding by liq...

Medchemcomm 2: 325-330 (2011)


Article DOI: 10.1039/c0md00273a
BindingDB Entry DOI: 10.7270/Q2FN1943
More data for this
Ligand-Target Pair