Found 6 hits for monomerid = 50468446 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)) | BDBM50468446
(CHEMBL4292323 | US10968163, Compound 4k)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1Cl |r,wU:4.35,5.15,wD:3.2,6.7,(61.87,-38.23,;60.38,-37.83,;59.98,-36.34,;59.29,-38.92,;57.75,-38.92,;57.75,-40.46,;59.29,-40.46,;60.38,-41.55,;59.98,-43.04,;61.06,-44.13,;62.56,-43.73,;62.95,-42.24,;61.86,-41.15,;62.25,-39.66,;56.66,-41.55,;55.17,-41.15,;57.06,-43.04,;55.97,-44.13,;56.37,-45.62,;57.81,-46.17,;59.17,-45.48,;60.46,-46.3,;60.38,-47.85,;59.02,-48.54,;57.73,-47.71,;56.24,-48.11,;55.55,-49.47,;54.03,-49.56,;53.18,-48.27,;53.88,-46.9,;55.41,-46.82,;56.66,-37.83,;55.18,-38.24,;54.09,-37.16,;54.48,-35.66,;55.97,-35.26,;57.06,-36.35,;58.55,-35.96,)| Show InChI InChI=1S/C32H24Cl2O4/c33-25-15-7-5-13-22(25)27-29(31(35)36)28(23-14-6-8-16-26(23)34)30(27)32(37)38-17-24-20-11-3-1-9-18(20)19-10-2-4-12-21(19)24/h1-16,24,27-30H,17H2,(H,35,36)/t27-,28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 50 | 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, brain
(Homo sapiens) | BDBM50468446
(CHEMBL4292323 | US10968163, Compound 4k)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1Cl |r,wU:4.35,5.15,wD:3.2,6.7,(61.87,-38.23,;60.38,-37.83,;59.98,-36.34,;59.29,-38.92,;57.75,-38.92,;57.75,-40.46,;59.29,-40.46,;60.38,-41.55,;59.98,-43.04,;61.06,-44.13,;62.56,-43.73,;62.95,-42.24,;61.86,-41.15,;62.25,-39.66,;56.66,-41.55,;55.17,-41.15,;57.06,-43.04,;55.97,-44.13,;56.37,-45.62,;57.81,-46.17,;59.17,-45.48,;60.46,-46.3,;60.38,-47.85,;59.02,-48.54,;57.73,-47.71,;56.24,-48.11,;55.55,-49.47,;54.03,-49.56,;53.18,-48.27,;53.88,-46.9,;55.41,-46.82,;56.66,-37.83,;55.18,-38.24,;54.09,-37.16,;54.48,-35.66,;55.97,-35.26,;57.06,-36.35,;58.55,-35.96,)| Show InChI InChI=1S/C32H24Cl2O4/c33-25-15-7-5-13-22(25)27-29(31(35)36)28(23-14-6-8-16-26(23)34)30(27)32(37)38-17-24-20-11-3-1-9-18(20)19-10-2-4-12-21(19)24/h1-16,24,27-30H,17H2,(H,35,36)/t27-,28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| 770 | 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)) | BDBM50468446
(CHEMBL4292323 | US10968163, Compound 4k)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1Cl |r,wU:4.35,5.15,wD:3.2,6.7,(61.87,-38.23,;60.38,-37.83,;59.98,-36.34,;59.29,-38.92,;57.75,-38.92,;57.75,-40.46,;59.29,-40.46,;60.38,-41.55,;59.98,-43.04,;61.06,-44.13,;62.56,-43.73,;62.95,-42.24,;61.86,-41.15,;62.25,-39.66,;56.66,-41.55,;55.17,-41.15,;57.06,-43.04,;55.97,-44.13,;56.37,-45.62,;57.81,-46.17,;59.17,-45.48,;60.46,-46.3,;60.38,-47.85,;59.02,-48.54,;57.73,-47.71,;56.24,-48.11,;55.55,-49.47,;54.03,-49.56,;53.18,-48.27,;53.88,-46.9,;55.41,-46.82,;56.66,-37.83,;55.18,-38.24,;54.09,-37.16,;54.48,-35.66,;55.97,-35.26,;57.06,-36.35,;58.55,-35.96,)| Show InChI InChI=1S/C32H24Cl2O4/c33-25-15-7-5-13-22(25)27-29(31(35)36)28(23-14-6-8-16-26(23)34)30(27)32(37)38-17-24-20-11-3-1-9-18(20)19-10-2-4-12-21(19)24/h1-16,24,27-30H,17H2,(H,35,36)/t27-,28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 890 | 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, brain
(Homo sapiens) | BDBM50468446
(CHEMBL4292323 | US10968163, Compound 4k)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1Cl |r,wU:4.35,5.15,wD:3.2,6.7,(61.87,-38.23,;60.38,-37.83,;59.98,-36.34,;59.29,-38.92,;57.75,-38.92,;57.75,-40.46,;59.29,-40.46,;60.38,-41.55,;59.98,-43.04,;61.06,-44.13,;62.56,-43.73,;62.95,-42.24,;61.86,-41.15,;62.25,-39.66,;56.66,-41.55,;55.17,-41.15,;57.06,-43.04,;55.97,-44.13,;56.37,-45.62,;57.81,-46.17,;59.17,-45.48,;60.46,-46.3,;60.38,-47.85,;59.02,-48.54,;57.73,-47.71,;56.24,-48.11,;55.55,-49.47,;54.03,-49.56,;53.18,-48.27,;53.88,-46.9,;55.41,-46.82,;56.66,-37.83,;55.18,-38.24,;54.09,-37.16,;54.48,-35.66,;55.97,-35.26,;57.06,-36.35,;58.55,-35.96,)| Show InChI InChI=1S/C32H24Cl2O4/c33-25-15-7-5-13-22(25)27-29(31(35)36)28(23-14-6-8-16-26(23)34)30(27)32(37)38-17-24-20-11-3-1-9-18(20)19-10-2-4-12-21(19)24/h1-16,24,27-30H,17H2,(H,35,36)/t27-,28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.54E+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 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 muscle
(Homo sapiens (Human)) | BDBM50468446
(CHEMBL4292323 | US10968163, Compound 4k)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1Cl |r,wU:4.35,5.15,wD:3.2,6.7,(61.87,-38.23,;60.38,-37.83,;59.98,-36.34,;59.29,-38.92,;57.75,-38.92,;57.75,-40.46,;59.29,-40.46,;60.38,-41.55,;59.98,-43.04,;61.06,-44.13,;62.56,-43.73,;62.95,-42.24,;61.86,-41.15,;62.25,-39.66,;56.66,-41.55,;55.17,-41.15,;57.06,-43.04,;55.97,-44.13,;56.37,-45.62,;57.81,-46.17,;59.17,-45.48,;60.46,-46.3,;60.38,-47.85,;59.02,-48.54,;57.73,-47.71,;56.24,-48.11,;55.55,-49.47,;54.03,-49.56,;53.18,-48.27,;53.88,-46.9,;55.41,-46.82,;56.66,-37.83,;55.18,-38.24,;54.09,-37.16,;54.48,-35.66,;55.97,-35.26,;57.06,-36.35,;58.55,-35.96,)| Show InChI InChI=1S/C32H24Cl2O4/c33-25-15-7-5-13-22(25)27-29(31(35)36)28(23-14-6-8-16-26(23)34)30(27)32(37)38-17-24-20-11-3-1-9-18(20)19-10-2-4-12-21(19)24/h1-16,24,27-30H,17H2,(H,35,36)/t27-,28-,29-,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 muscle
(Homo sapiens (Human)) | BDBM50468446
(CHEMBL4292323 | US10968163, Compound 4k)Show SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1Cl |r,wU:4.35,5.15,wD:3.2,6.7,(61.87,-38.23,;60.38,-37.83,;59.98,-36.34,;59.29,-38.92,;57.75,-38.92,;57.75,-40.46,;59.29,-40.46,;60.38,-41.55,;59.98,-43.04,;61.06,-44.13,;62.56,-43.73,;62.95,-42.24,;61.86,-41.15,;62.25,-39.66,;56.66,-41.55,;55.17,-41.15,;57.06,-43.04,;55.97,-44.13,;56.37,-45.62,;57.81,-46.17,;59.17,-45.48,;60.46,-46.3,;60.38,-47.85,;59.02,-48.54,;57.73,-47.71,;56.24,-48.11,;55.55,-49.47,;54.03,-49.56,;53.18,-48.27,;53.88,-46.9,;55.41,-46.82,;56.66,-37.83,;55.18,-38.24,;54.09,-37.16,;54.48,-35.66,;55.97,-35.26,;57.06,-36.35,;58.55,-35.96,)| Show InChI InChI=1S/C32H24Cl2O4/c33-25-15-7-5-13-22(25)27-29(31(35)36)28(23-14-6-8-16-26(23)34)30(27)32(37)38-17-24-20-11-3-1-9-18(20)19-10-2-4-12-21(19)24/h1-16,24,27-30H,17H2,(H,35,36)/t27-,28-,29-,30-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 | |