BDBM50332917 CHEMBL1632614::CHEMBL1632615::anti-(3S)-4-(4-(2,4-dichlorobenzyloxy)phenyl)-2-hydroxy-3-palmitamidobutylphosphonic acid

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)CP(O)(O)O

InChI Key: InChIKey=HWIFPCMCELHAFO-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 = 50332917   

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))	BDBM50332917 (CHEMBL1632614 | CHEMBL1632615 | anti-(3S)-4-(4-(2,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H50Cl2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-33(38)36-31(32(37)25-43(39,40)41)22-26-16-20-29(21-17-26)42-24-27-18-19-28(34)23-30(27)35/h16-21,23,31,39-41,43H,2-15,22,24-25H2,1H3,(H,36,38)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.84E+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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332917 (CHEMBL1632614 | CHEMBL1632615 | anti-(3S)-4-(4-(2,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H50Cl2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-33(38)36-31(32(37)25-43(39,40)41)22-26-16-20-29(21-17-26)42-24-27-18-19-28(34)23-30(27)35/h16-21,23,31,39-41,43H,2-15,22,24-25H2,1H3,(H,36,38)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+6	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