Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Fatty acid-binding protein, heart | ||
Ligand | BDBM50468442 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1799514 (CHEMBL4271806) | ||
Ki | 1060±n/a nM | ||
Citation | Yan, S; Elmes, MW; Tong, S; Hu, K; Awwa, M; Teng, GYH; Jing, Y; Freitag, M; Gan, Q; Clement, T; Wei, L; Sweeney, JM; Joseph, OM; Che, J; Carbonetti, GS; Wang, L; Bogdan, DM; Falcone, J; Smietalo, N; Zhou, Y; Ralph, B; Hsu, HC; Li, H; Rizzo, RC; Deutsch, DG; Kaczocha, M; Ojima, I SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins. Eur J Med Chem154:233-252 (2018) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Fatty acid-binding protein, heart | |||
Name: | Fatty acid-binding protein, heart | ||
Synonyms: | FABP11 | FABP3 | FABPH_HUMAN | Fatty acid binding protein muscle | MDGI | ||
Type: | PROTEIN | ||
Mol. Mass.: | 14858.36 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_1463784 | ||
Residue: | 133 | ||
Sequence: |
| ||
BDBM50468442 | |||
n/a | |||
Name | BDBM50468442 | ||
Synonyms: | CHEMBL4276759 | US10968163, Compound 4a | ||
Type | Small organic molecule | ||
Emp. Form. | C30H26O8 | ||
Mol. Mass. | 514.5226 | ||
SMILES | COc1cc(ccc1O)[C@H]1[C@@H]([C@@H]([C@H]1C(=O)Oc1cccc2ccccc12)c1ccc(O)c(OC)c1)C(O)=O |r,wU:9.9,12.14,wD:10.39,11.29,(2.99,-19.92,;4.08,-21,;5.57,-20.6,;6.66,-21.68,;8.14,-21.27,;8.54,-19.79,;7.45,-18.7,;5.96,-19.1,;4.87,-18.01,;9.22,-22.36,;10.77,-22.36,;10.77,-23.9,;9.22,-23.9,;8.14,-24.99,;6.65,-24.59,;8.53,-26.48,;7.45,-27.57,;5.96,-27.16,;4.87,-28.25,;5.27,-29.74,;6.77,-30.13,;7.17,-31.6,;8.65,-31.99,;9.72,-30.9,;9.32,-29.43,;7.85,-29.05,;11.85,-24.99,;11.45,-26.48,;12.54,-27.57,;14.03,-27.17,;15.12,-28.26,;14.42,-25.67,;15.91,-25.27,;17,-26.35,;13.33,-24.59,;11.85,-21.27,;13.34,-21.67,;11.46,-19.79,)| | ||
Structure |