Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50542076' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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
| Article 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)
Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8 |
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
| Article 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)
Article DOI: 10.1021/acsmedchemlett.0c00200 BindingDB Entry DOI: 10.7270/Q2DB85D8 |
More data for this Ligand-Target Pair | |