BDBM50542076 CHEMBL4643803

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

InChI Key: InChIKey=ITUYIHBIYFMSGB-KJGDFQNHSA-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 = 50542076   

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))	BDBM50542076 (CHEMBL4643803) Show SMILES C[C@@]1(CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1)C(O)=O |r,wU:4.4,wD:1.36,(23.5,-7.33,;22.75,-8.66,;22.27,-7.2,;20.76,-6.87,;19.74,-8.02,;18.23,-7.71,;17.2,-8.85,;17.68,-10.32,;15.7,-8.53,;15.21,-7.06,;13.69,-6.73,;12.66,-7.89,;13.15,-9.37,;14.66,-9.69,;11.89,-10.27,;11.89,-11.81,;10.55,-12.57,;9.22,-11.8,;7.89,-12.56,;7.89,-14.1,;6.55,-14.87,;9.23,-14.88,;10.56,-14.11,;11.89,-14.87,;10.64,-9.37,;9.14,-9.68,;8.11,-8.54,;8.59,-7.07,;10.1,-6.75,;11.12,-7.9,;20.21,-9.49,;21.71,-9.81,;24.25,-8.99,;25.28,-7.85,;24.72,-10.45,)| Show InChI InChI=1S/C27H29F2N3O3/c1-27(26(34)35)9-6-17(7-10-27)13-24(33)31-12-8-20-21-3-2-11-30-25(21)32(23(20)16-31)15-18-4-5-19(28)14-22(18)29/h2-5,11,14,17H,6-10,12-13,15-16H2,1H3,(H,34,35)/t17-,27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	25	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))	BDBM50542076 (CHEMBL4643803) Show SMILES C[C@@]1(CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1)C(O)=O |r,wU:4.4,wD:1.36,(23.5,-7.33,;22.75,-8.66,;22.27,-7.2,;20.76,-6.87,;19.74,-8.02,;18.23,-7.71,;17.2,-8.85,;17.68,-10.32,;15.7,-8.53,;15.21,-7.06,;13.69,-6.73,;12.66,-7.89,;13.15,-9.37,;14.66,-9.69,;11.89,-10.27,;11.89,-11.81,;10.55,-12.57,;9.22,-11.8,;7.89,-12.56,;7.89,-14.1,;6.55,-14.87,;9.23,-14.88,;10.56,-14.11,;11.89,-14.87,;10.64,-9.37,;9.14,-9.68,;8.11,-8.54,;8.59,-7.07,;10.1,-6.75,;11.12,-7.9,;20.21,-9.49,;21.71,-9.81,;24.25,-8.99,;25.28,-7.85,;24.72,-10.45,)| Show InChI InChI=1S/C27H29F2N3O3/c1-27(26(34)35)9-6-17(7-10-27)13-24(33)31-12-8-20-21-3-2-11-30-25(21)32(23(20)16-31)15-18-4-5-19(28)14-22(18)29/h2-5,11,14,17H,6-10,12-13,15-16H2,1H3,(H,34,35)/t17-,27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	22	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