BDBM50332919 CHEMBL1629746::CHEMBL1632616::anti-(3S)-2-hydroxy-4-(4-(4-methoxy-3,5-dimethylbenzyloxy)phenyl)-3-palmitamidobutylphosphonic acid

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(C)c(OC)c(C)c2)cc1)C(=O)CP(O)(O)O

InChI Key: InChIKey=NLYKXQFXBFOTOB-XIFFEERXSA-N

Data: 2 KI

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 = 50332919   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332919 (CHEMBL1629746 | CHEMBL1632616 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(C)c(OC)c(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C36H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)37-33(34(38)27-45(40,41)42)25-30-19-21-32(22-20-30)44-26-31-23-28(2)36(43-4)29(3)24-31/h19-24,33,40-42,45H,5-18,25-27H2,1-4H3,(H,37,39)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332919 (CHEMBL1629746 | CHEMBL1632616 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(C)c(OC)c(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C36H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)37-33(34(38)27-45(40,41)42)25-30-19-21-32(22-20-30)44-26-31-23-28(2)36(43-4)29(3)24-31/h19-24,33,40-42,45H,5-18,25-27H2,1-4H3,(H,37,39)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair