BDBM50501625 CHEMBL4101049

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NC1CN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=OZNBTOGSJYUQAG-QHLXYLGSSA-N

Data: 1 IC50

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 1 hit for monomerid = 50501625   

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))	BDBM50501625 (CHEMBL4101049) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NC1CN(C1)C(=O)OCc1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C35H50Cl2N2O5/c1-20(4-7-31(42)38-25-17-39(18-25)33(43)44-19-21-12-23(36)16-24(37)13-21)27-5-6-28-32-29(9-11-35(27,28)3)34(2)10-8-26(40)14-22(34)15-30(32)41/h12-13,16,20,22,25-30,32,40-41H,4-11,14-15,17-19H2,1-3H3,(H,38,42)/t20-,22+,26-,27-,28+,29+,30+,32+,34+,35-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Netherlands Institute Curated by ChEMBL					Assay Description Inhibition of human ATX expressed in HEK293 Flp-In cells assessed as decrease in choline release from LPC measured every 30 secs for 90 mins by HVA b...				J Med Chem 60: 2006-2017 (2017) Article DOI: 10.1021/acs.jmedchem.6b01743 BindingDB Entry DOI: 10.7270/Q22F7RGR
					More data for this Ligand-Target Pair