BDBM50332907 CHEMBL1632529::CHEMBL1632530::anti-(3S)-4-(4-((3,5-dimethylpyridin-2-yl)methoxy)phenyl)-2-hydroxy-3-palmitamidobutylphosphonic acid

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)cc2C)cc1)C(=O)CP(O)(O)O

InChI Key: InChIKey=LJTMNYNHCHOLNE-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 = 50332907   

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))	BDBM50332907 (CHEMBL1632529 | CHEMBL1632530 | anti-(3S)-4-(4-((3...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)cc2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C34H55N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(38)36-31(33(37)26-43(39,40)41)23-29-18-20-30(21-19-29)42-25-32-28(3)22-27(2)24-35-32/h18-22,24,31,39-41,43H,4-17,23,25-26H2,1-3H3,(H,36,38)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+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))	BDBM50332907 (CHEMBL1632529 | CHEMBL1632530 | anti-(3S)-4-(4-((3...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)cc2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C34H55N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(38)36-31(33(37)26-43(39,40)41)23-29-18-20-30(21-19-29)42-25-32-28(3)22-27(2)24-35-32/h18-22,24,31,39-41,43H,4-17,23,25-26H2,1-3H3,(H,36,38)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.99E+5	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