BDBM50332905 CHEMBL1632527::CHEMBL1632528::anti-(3S)-2-hydroxy-4-(4-((4-methoxypyridin-2-yl)methoxy)phenyl)-3-palmitamidobutylphosphonic acid

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(OC)ccn2)cc1)C(=O)CP(O)(O)O

InChI Key: InChIKey=SDBRXPFVICJTGV-HKBQPEDESA-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 = 50332905   

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))	BDBM50332905 (CHEMBL1632527 | CHEMBL1632528 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(OC)ccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H53N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)35-31(32(36)26-43(38,39)40)23-27-17-19-29(20-18-27)42-25-28-24-30(41-2)21-22-34-28/h17-22,24,31,38-40,43H,3-16,23,25-26H2,1-2H3,(H,35,37)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+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))	BDBM50332905 (CHEMBL1632527 | CHEMBL1632528 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(OC)ccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H53N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)35-31(32(36)26-43(38,39)40)23-27-17-19-29(20-18-27)42-25-28-24-30(41-2)21-22-34-28/h17-22,24,31,38-40,43H,3-16,23,25-26H2,1-2H3,(H,35,37)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+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