BDBM50542078 CHEMBL4634704

SMILES: OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)C2

InChI Key: InChIKey=FWTQKKVOTULATP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50542078   

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))	BDBM50542078 (CHEMBL4634704) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)C2 Show InChI InChI=1S/C27H27F2N3O3/c28-18-4-3-17(21(29)12-18)14-32-22-15-31(11-5-19(22)20-2-1-10-30-24(20)32)23(33)13-26-6-8-27(16-26,9-7-26)25(34)35/h1-4,10,12H,5-9,11,13-16H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of LysoPLD activity of ATX in human plasma assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020)
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50542078 (CHEMBL4634704) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)C2 Show InChI InChI=1S/C27H27F2N3O3/c28-18-4-3-17(21(29)12-18)14-32-22-15-31(11-5-19(22)20-2-1-10-30-24(20)32)23(33)13-26-6-8-27(16-26,9-7-26)25(34)35/h1-4,10,12H,5-9,11,13-16H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs				ACS Med Chem Lett 11: 1335-1341 (2020)
					More data for this Ligand-Target Pair