Found 1385 hits with Last Name = 'rudolph' and Initial = 'mg' 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 |
|---|
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197090
(CHEMBL3970105)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4OS/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(29)28-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197093
(CHEMBL3959018)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197092
(CHEMBL3947458)Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197092
(CHEMBL3947458)Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197087
(CHEMBL3950316)Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197088
(CHEMBL3979347)Show SMILES CC(C)c1cccc(c1)-c1c(C(O)=O)c(nc2ccc(Cl)cc12)N(C)C Show InChI InChI=1S/C21H21ClN2O2/c1-12(2)13-6-5-7-14(10-13)18-16-11-15(22)8-9-17(16)23-20(24(3)4)19(18)21(25)26/h5-12H,1-4H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197086
(CHEMBL3971182)Show SMILES OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197089
(CHEMBL3889982)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197094
(CHEMBL3941588)Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197094
(CHEMBL3941588)Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50613583
(CHEMBL5287034) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197093
(CHEMBL3959018)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197091
(CHEMBL1738980)Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197091
(CHEMBL1738980)Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197087
(CHEMBL3950316)Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197091
(CHEMBL1738980)Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197087
(CHEMBL3950316)Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, adipocyte
(Homo sapiens (Human)) | BDBM50197091
(CHEMBL1738980)Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197086
(CHEMBL3971182)Show SMILES OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197090
(CHEMBL3970105)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4OS/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(29)28-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50613583
(CHEMBL5287034) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197089
(CHEMBL3889982)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197092
(CHEMBL3947458)Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| | 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197092
(CHEMBL3947458)Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197086
(CHEMBL3971182)Show SMILES OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197094
(CHEMBL3941588)Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197094
(CHEMBL3941588)Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197092
(CHEMBL3947458)Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197092
(CHEMBL3947458)Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197093
(CHEMBL3959018)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197090
(CHEMBL3970105)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4OS/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(29)28-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197088
(CHEMBL3979347)Show SMILES CC(C)c1cccc(c1)-c1c(C(O)=O)c(nc2ccc(Cl)cc12)N(C)C Show InChI InChI=1S/C21H21ClN2O2/c1-12(2)13-6-5-7-14(10-13)18-16-11-15(22)8-9-17(16)23-20(24(3)4)19(18)21(25)26/h5-12H,1-4H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50613583
(CHEMBL5287034) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197089
(CHEMBL3889982)Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197094
(CHEMBL3941588)Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197094
(CHEMBL3941588)Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein, heart
(Homo sapiens (Human)) | BDBM50197088
(CHEMBL3979347)Show SMILES CC(C)c1cccc(c1)-c1c(C(O)=O)c(nc2ccc(Cl)cc12)N(C)C Show InChI InChI=1S/C21H21ClN2O2/c1-12(2)13-6-5-7-14(10-13)18-16-11-15(22)8-9-17(16)23-20(24(3)4)19(18)21(25)26/h5-12H,1-4H3,(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197091
(CHEMBL1738980)Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| | >2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Fatty acid-binding protein 5
(Homo sapiens (Human)) | BDBM50197091
(CHEMBL1738980)Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| >2.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b... |
Bioorg Med Chem Lett 26: 5092-5097 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.071
BindingDB Entry DOI: 10.7270/Q25H7J69 |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50397965
(CHEMBL2180789)Show SMILES FC(F)(F)Oc1cccc(c1)-n1ccc(=O)c(n1)-c1ccnn1-c1ccccc1 Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)29-16-8-4-7-15(13-16)26-12-10-18(28)19(25-26)17-9-11-24-27(17)14-5-2-1-3-6-14/h1-13H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50613581
(CHEMBL5286395)Show SMILES FC(F)(F)Oc1cccc(c1)-c1c[nH]c(=O)c(c1)-c1ccnn1-c1ccccc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM97529
(Roche-Dataset for PDE10A, Compound 46 | US8470820,...)Show SMILES Cn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C26H22N8O/c1-34-24(12-23(33-34)21-9-8-16-4-2-3-5-19(16)30-21)32-26(35)25-22(29-18-13-27-15-28-14-18)11-10-20(31-25)17-6-7-17/h2-5,8-15,17,29H,6-7H2,1H3,(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (... |
Citation and Details
Article DOI: 10.1007/s10822-022-00478-x
BindingDB Entry DOI: 10.7270/Q29W0JQD |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM564307
(Roche-Dataset for PDE10A, Compound 621)Show SMILES CNC(=O)c1cc2[nH]c(nc2cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)-c1ccccc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (... |
Citation and Details
Article DOI: 10.1007/s10822-022-00478-x
BindingDB Entry DOI: 10.7270/Q29W0JQD |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM97514
(Roche-Dataset for PDE10A, Compound 6 | US8470820, ...)Show SMILES OCCn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C27H24N8O2/c36-12-11-35-25(13-24(34-35)22-8-7-17-3-1-2-4-20(17)31-22)33-27(37)26-23(30-19-14-28-16-29-15-19)10-9-21(32-26)18-5-6-18/h1-4,7-10,13-16,18,30,36H,5-6,11-12H2,(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (... |
Citation and Details
Article DOI: 10.1007/s10822-022-00478-x
BindingDB Entry DOI: 10.7270/Q29W0JQD |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50613582
(CHEMBL5288570)Show SMILES FC(F)(F)Oc1cccc(c1)-c1c[nH]c(=O)c(n1)-c1ccnn1-c1ccccc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.102 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM239752
(Roche-Dataset for PDE10A, Compound 308 | US9394311...)Show SMILES Cc1cc(Cl)c(C)n2nc(\C=C\c3nc(N4CCCC4)n(C)n3)nc12 Show InChI InChI=1S/C17H20ClN7/c1-11-10-13(18)12(2)25-16(11)19-14(22-25)6-7-15-20-17(23(3)21-15)24-8-4-5-9-24/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (... |
Citation and Details
Article DOI: 10.1007/s10822-022-00478-x
BindingDB Entry DOI: 10.7270/Q29W0JQD |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM239837
(Roche-Dataset for PDE10A, Compound 146 | US9394311...)Show SMILES COCCOc1cc(Cl)c(C)n2nc(CCc3nc(nn3C)N3CCCC3)nc12 Show InChI InChI=1S/C19H26ClN7O2/c1-13-14(20)12-15(29-11-10-28-3)18-21-16(23-27(13)18)6-7-17-22-19(24-25(17)2)26-8-4-5-9-26/h12H,4-11H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (... |
Citation and Details
Article DOI: 10.1007/s10822-022-00478-x
BindingDB Entry DOI: 10.7270/Q29W0JQD |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM97527
(Roche-Dataset for PDE10A, Compound 53 | US8470820,...)Show SMILES COCCn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)-c1ccccn1 Show InChI InChI=1S/C24H24N8O2/c1-34-11-10-32-22(12-21(31-32)19-4-2-3-9-27-19)30-24(33)23-20(28-17-13-25-15-26-14-17)8-7-18(29-23)16-5-6-16/h2-4,7-9,12-16,28H,5-6,10-11H2,1H3,(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (... |
Citation and Details
Article DOI: 10.1007/s10822-022-00478-x
BindingDB Entry DOI: 10.7270/Q29W0JQD |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM563882
(Roche-Dataset for PDE10A, Compound 196)Show SMILES Cc1cn2nc(nc2cc1NC(=O)c1c(cnn1C)C(=O)N1CCC1)-c1ccccc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (... |
Citation and Details
Article DOI: 10.1007/s10822-022-00478-x
BindingDB Entry DOI: 10.7270/Q29W0JQD |
More data for this
Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM239785
(Roche-Dataset for PDE10A, Compound 522 | US9394311...)Show SMILES Cc1c(Cl)cc(Cl)c2nc(CCc3n[nH]c(n3)N3CCCC3)nn12 Show InChI InChI=1S/C15H17Cl2N7/c1-9-10(16)8-11(17)14-18-13(22-24(9)14)5-4-12-19-15(21-20-12)23-6-2-3-7-23/h8H,2-7H2,1H3,(H,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (... |
Citation and Details
Article DOI: 10.1007/s10822-022-00478-x
BindingDB Entry DOI: 10.7270/Q29W0JQD |
More data for this
Ligand-Target Pair | |
Search and Browse
