Found 6 hits for monomerid = 50468478 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 |
Fatty acid-binding protein 5 (FABP5)
(Homo sapiens (Human)) | BDBM50468478
(CHEMBL4280183 | US10968163, Compound 4j)Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.42,10.33,(46.68,-34.73,;46.28,-36.21,;44.79,-36.61,;43.71,-35.52,;42.22,-35.92,;41.82,-37.42,;42.91,-38.5,;44.39,-38.09,;45.48,-39.18,;47.02,-39.18,;47.02,-40.72,;45.48,-40.72,;44.39,-41.81,;42.9,-41.41,;44.79,-43.3,;43.7,-44.39,;44.1,-45.87,;45.54,-46.42,;46.9,-45.73,;48.19,-46.56,;48.11,-48.1,;46.74,-48.79,;45.46,-47.96,;43.97,-48.36,;43.28,-49.72,;41.76,-49.81,;40.92,-48.52,;41.61,-47.15,;43.14,-47.07,;48.11,-41.81,;47.71,-43.3,;48.79,-44.39,;50.28,-43.99,;50.68,-42.49,;49.59,-41.41,;49.98,-39.92,;51.47,-39.52,;48.11,-38.09,;49.6,-38.49,;47.71,-36.6,)| Show InChI InChI=1S/C34H30O6/c1-38-27-17-9-7-15-24(27)29-31(33(35)36)30(25-16-8-10-18-28(25)39-2)32(29)34(37)40-19-26-22-13-5-3-11-20(22)21-12-4-6-14-23(21)26/h3-18,26,29-32H,19H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| US Patent
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
|
More data for this Ligand-Target Pair | |
Fatty acid-binding protein 5 (FABP5)
(Homo sapiens (Human)) | BDBM50468478
(CHEMBL4280183 | US10968163, Compound 4j)Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.42,10.33,(46.68,-34.73,;46.28,-36.21,;44.79,-36.61,;43.71,-35.52,;42.22,-35.92,;41.82,-37.42,;42.91,-38.5,;44.39,-38.09,;45.48,-39.18,;47.02,-39.18,;47.02,-40.72,;45.48,-40.72,;44.39,-41.81,;42.9,-41.41,;44.79,-43.3,;43.7,-44.39,;44.1,-45.87,;45.54,-46.42,;46.9,-45.73,;48.19,-46.56,;48.11,-48.1,;46.74,-48.79,;45.46,-47.96,;43.97,-48.36,;43.28,-49.72,;41.76,-49.81,;40.92,-48.52,;41.61,-47.15,;43.14,-47.07,;48.11,-41.81,;47.71,-43.3,;48.79,-44.39,;50.28,-43.99,;50.68,-42.49,;49.59,-41.41,;49.98,-39.92,;51.47,-39.52,;48.11,-38.09,;49.6,-38.49,;47.71,-36.6,)| Show InChI InChI=1S/C34H30O6/c1-38-27-17-9-7-15-24(27)29-31(33(35)36)30(25-16-8-10-18-28(25)39-2)32(29)34(37)40-19-26-22-13-5-3-11-20(22)21-12-4-6-14-23(21)26/h3-18,26,29-32H,19H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description Displacement of DAUDA from recombinant human N-terminal His-tagged FABP5 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay |
Eur J Med Chem 154: 233-252 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.050 BindingDB Entry DOI: 10.7270/Q2ZK5KC1 |
More data for this Ligand-Target Pair | |
Fatty acid binding protein muscle
(Homo sapiens (Human)) | BDBM50468478
(CHEMBL4280183 | US10968163, Compound 4j)Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.42,10.33,(46.68,-34.73,;46.28,-36.21,;44.79,-36.61,;43.71,-35.52,;42.22,-35.92,;41.82,-37.42,;42.91,-38.5,;44.39,-38.09,;45.48,-39.18,;47.02,-39.18,;47.02,-40.72,;45.48,-40.72,;44.39,-41.81,;42.9,-41.41,;44.79,-43.3,;43.7,-44.39,;44.1,-45.87,;45.54,-46.42,;46.9,-45.73,;48.19,-46.56,;48.11,-48.1,;46.74,-48.79,;45.46,-47.96,;43.97,-48.36,;43.28,-49.72,;41.76,-49.81,;40.92,-48.52,;41.61,-47.15,;43.14,-47.07,;48.11,-41.81,;47.71,-43.3,;48.79,-44.39,;50.28,-43.99,;50.68,-42.49,;49.59,-41.41,;49.98,-39.92,;51.47,-39.52,;48.11,-38.09,;49.6,-38.49,;47.71,-36.6,)| Show InChI InChI=1S/C34H30O6/c1-38-27-17-9-7-15-24(27)29-31(33(35)36)30(25-16-8-10-18-28(25)39-2)32(29)34(37)40-19-26-22-13-5-3-11-20(22)21-12-4-6-14-23(21)26/h3-18,26,29-32H,19H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description Displacement of DAUDA from recombinant human N-terminal His-tagged FABP3 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay |
Eur J Med Chem 154: 233-252 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.050 BindingDB Entry DOI: 10.7270/Q2ZK5KC1 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, brain
(Homo sapiens) | BDBM50468478
(CHEMBL4280183 | US10968163, Compound 4j)Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.42,10.33,(46.68,-34.73,;46.28,-36.21,;44.79,-36.61,;43.71,-35.52,;42.22,-35.92,;41.82,-37.42,;42.91,-38.5,;44.39,-38.09,;45.48,-39.18,;47.02,-39.18,;47.02,-40.72,;45.48,-40.72,;44.39,-41.81,;42.9,-41.41,;44.79,-43.3,;43.7,-44.39,;44.1,-45.87,;45.54,-46.42,;46.9,-45.73,;48.19,-46.56,;48.11,-48.1,;46.74,-48.79,;45.46,-47.96,;43.97,-48.36,;43.28,-49.72,;41.76,-49.81,;40.92,-48.52,;41.61,-47.15,;43.14,-47.07,;48.11,-41.81,;47.71,-43.3,;48.79,-44.39,;50.28,-43.99,;50.68,-42.49,;49.59,-41.41,;49.98,-39.92,;51.47,-39.52,;48.11,-38.09,;49.6,-38.49,;47.71,-36.6,)| Show InChI InChI=1S/C34H30O6/c1-38-27-17-9-7-15-24(27)29-31(33(35)36)30(25-16-8-10-18-28(25)39-2)32(29)34(37)40-19-26-22-13-5-3-11-20(22)21-12-4-6-14-23(21)26/h3-18,26,29-32H,19H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description Displacement of ANS from recombinant human N-terminal His-tagged FABP7 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assay |
Eur J Med Chem 154: 233-252 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.050 BindingDB Entry DOI: 10.7270/Q2ZK5KC1 |
More data for this Ligand-Target Pair | |
Fatty acid-binding protein, brain
(Homo sapiens) | BDBM50468478
(CHEMBL4280183 | US10968163, Compound 4j)Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.42,10.33,(46.68,-34.73,;46.28,-36.21,;44.79,-36.61,;43.71,-35.52,;42.22,-35.92,;41.82,-37.42,;42.91,-38.5,;44.39,-38.09,;45.48,-39.18,;47.02,-39.18,;47.02,-40.72,;45.48,-40.72,;44.39,-41.81,;42.9,-41.41,;44.79,-43.3,;43.7,-44.39,;44.1,-45.87,;45.54,-46.42,;46.9,-45.73,;48.19,-46.56,;48.11,-48.1,;46.74,-48.79,;45.46,-47.96,;43.97,-48.36,;43.28,-49.72,;41.76,-49.81,;40.92,-48.52,;41.61,-47.15,;43.14,-47.07,;48.11,-41.81,;47.71,-43.3,;48.79,-44.39,;50.28,-43.99,;50.68,-42.49,;49.59,-41.41,;49.98,-39.92,;51.47,-39.52,;48.11,-38.09,;49.6,-38.49,;47.71,-36.6,)| Show InChI InChI=1S/C34H30O6/c1-38-27-17-9-7-15-24(27)29-31(33(35)36)30(25-16-8-10-18-28(25)39-2)32(29)34(37)40-19-26-22-13-5-3-11-20(22)21-12-4-6-14-23(21)26/h3-18,26,29-32H,19H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| US Patent
| >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
|
More data for this Ligand-Target Pair | |
Fatty acid binding protein muscle
(Homo sapiens (Human)) | BDBM50468478
(CHEMBL4280183 | US10968163, Compound 4j)Show SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,wD:9.42,10.33,(46.68,-34.73,;46.28,-36.21,;44.79,-36.61,;43.71,-35.52,;42.22,-35.92,;41.82,-37.42,;42.91,-38.5,;44.39,-38.09,;45.48,-39.18,;47.02,-39.18,;47.02,-40.72,;45.48,-40.72,;44.39,-41.81,;42.9,-41.41,;44.79,-43.3,;43.7,-44.39,;44.1,-45.87,;45.54,-46.42,;46.9,-45.73,;48.19,-46.56,;48.11,-48.1,;46.74,-48.79,;45.46,-47.96,;43.97,-48.36,;43.28,-49.72,;41.76,-49.81,;40.92,-48.52,;41.61,-47.15,;43.14,-47.07,;48.11,-41.81,;47.71,-43.3,;48.79,-44.39,;50.28,-43.99,;50.68,-42.49,;49.59,-41.41,;49.98,-39.92,;51.47,-39.52,;48.11,-38.09,;49.6,-38.49,;47.71,-36.6,)| Show InChI InChI=1S/C34H30O6/c1-38-27-17-9-7-15-24(27)29-31(33(35)36)30(25-16-8-10-18-28(25)39-2)32(29)34(37)40-19-26-22-13-5-3-11-20(22)21-12-4-6-14-23(21)26/h3-18,26,29-32H,19H2,1-2H3,(H,35,36)/t29-,30-,31-,32-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| US Patent
| >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Research Foundation for the State University of New York
US Patent
| Assay Description FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor... |
US Patent US10968163 (2021)
|
More data for this Ligand-Target Pair | |