BDBM50332911 CHEMBL1632607::CHEMBL1632609::anti-(3S)-2-hydroxy-4-(4-((4-isopropoxy-3,5-dimethylpyridin-2-yl)methoxy)phenyl)-3-palmitamidobutylphosphonic acid

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC(C)C)c2C)cc1)C(=O)CP(O)(O)O

InChI Key: InChIKey=UFHHCHRAUDKISA-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 = 50332911   

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))	BDBM50332911 (CHEMBL1632607 | CHEMBL1632609 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC(C)C)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C37H61N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(41)39-33(35(40)27-47(42,43)44)24-31-20-22-32(23-21-31)45-26-34-30(5)37(46-28(2)3)29(4)25-38-34/h20-23,25,28,33,42-44,47H,6-19,24,26-27H2,1-5H3,(H,39,41)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80E+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))	BDBM50332911 (CHEMBL1632607 | CHEMBL1632609 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC(C)C)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C37H61N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(41)39-33(35(40)27-47(42,43)44)24-31-20-22-32(23-21-31)45-26-34-30(5)37(46-28(2)3)29(4)25-38-34/h20-23,25,28,33,42-44,47H,6-19,24,26-27H2,1-5H3,(H,39,41)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	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