BDBM50542075 CHEMBL4634540

SMILES: OC(=O)[C@@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1

InChI Key: InChIKey=PMDBHVLDYVKHEL-CALCHBBNSA-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 = 50542075   

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))	BDBM50542075 (CHEMBL4634540) Show SMILES OC(=O)[C@@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1 |r,wU:6.6,3.2,(29.17,-46.94,;28.14,-48.08,;28.61,-49.55,;26.63,-47.76,;26.16,-46.29,;24.65,-45.97,;23.63,-47.12,;22.12,-46.8,;21.09,-47.95,;21.57,-49.41,;19.59,-47.63,;19.1,-46.15,;17.58,-45.83,;16.55,-46.99,;17.03,-48.47,;18.55,-48.78,;15.78,-49.36,;15.78,-50.9,;14.44,-51.67,;13.11,-50.89,;11.78,-51.66,;11.77,-53.2,;10.44,-53.97,;13.11,-53.97,;14.44,-53.2,;15.78,-53.97,;14.53,-48.46,;13.03,-48.78,;12,-47.64,;12.47,-46.16,;13.99,-45.85,;15.01,-46.99,;24.1,-48.58,;25.6,-48.9,)| Show InChI InChI=1S/C26H27F2N3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	16	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))	BDBM50542075 (CHEMBL4634540) Show SMILES OC(=O)[C@@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1 |r,wU:6.6,3.2,(29.17,-46.94,;28.14,-48.08,;28.61,-49.55,;26.63,-47.76,;26.16,-46.29,;24.65,-45.97,;23.63,-47.12,;22.12,-46.8,;21.09,-47.95,;21.57,-49.41,;19.59,-47.63,;19.1,-46.15,;17.58,-45.83,;16.55,-46.99,;17.03,-48.47,;18.55,-48.78,;15.78,-49.36,;15.78,-50.9,;14.44,-51.67,;13.11,-50.89,;11.78,-51.66,;11.77,-53.2,;10.44,-53.97,;13.11,-53.97,;14.44,-53.2,;15.78,-53.97,;14.53,-48.46,;13.03,-48.78,;12,-47.64,;12.47,-46.16,;13.99,-45.85,;15.01,-46.99,;24.1,-48.58,;25.6,-48.9,)| Show InChI InChI=1S/C26H27F2N3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	19	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