BDBM50542077 CHEMBL4634102

SMILES: OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)CC2

InChI Key: InChIKey=YMPSAXHPZCEERN-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 = 50542077   

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))	BDBM50542077 (CHEMBL4634102) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H29F2N3O3/c29-19-4-3-18(22(30)14-19)16-33-23-17-32(13-5-20(23)21-2-1-12-31-25(21)33)24(34)15-27-6-9-28(10-7-27,11-8-27)26(35)36/h1-4,12,14H,5-11,13,15-17H2,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8.10	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))	BDBM50542077 (CHEMBL4634102) Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)CC2 Show InChI InChI=1S/C28H29F2N3O3/c29-19-4-3-18(22(30)14-19)16-33-23-17-32(13-5-20(23)21-2-1-12-31-25(21)33)24(34)15-27-6-9-28(10-7-27,11-8-27)26(35)36/h1-4,12,14H,5-11,13,15-17H2,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9	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