Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 12 entry = 50008863 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 |
|---|
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway
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PC sid
PDB
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| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Göteborg
Curated by ChEMBL
| Assay Description
Binding affinity towards human D4.2 receptor |
J Med Chem 42: 2235-44 (1999)
Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
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AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Göteborg
Curated by ChEMBL
| Assay Description
Binding affinity towards human D4.2 receptor |
J Med Chem 42: 2235-44 (1999)
Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50010594
(2-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b...)Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-12-13(19)6-7-15(14)20-16-4-2-3-5-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Göteborg
Curated by ChEMBL
| Assay Description
Binding affinity towards human D4.2 receptor |
J Med Chem 42: 2235-44 (1999)
Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50061559
(CHEMBL72292 | Trifluoro-methanesulfonic acid 11-(4...)Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H19F3N4O3S/c1-25-8-10-26(11-9-25)18-14-12-13(29-30(27,28)19(20,21)22)6-7-15(14)23-16-4-2-3-5-17(16)24-18/h2-7,12,23H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Göteborg
Curated by ChEMBL
| Assay Description
Binding affinity towards human D4.2 receptor |
J Med Chem 42: 2235-44 (1999)
Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50078062
(CHEMBL430798 | Trifluoro-methanesulfonic acid 11-(...)Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O4S/c1-24-8-10-25(11-9-24)18-14-12-13(29-30(26,27)19(20,21)22)6-7-16(14)28-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Göteborg
Curated by ChEMBL
| Assay Description
Binding affinity towards human D4.2 receptor |
J Med Chem 42: 2235-44 (1999)
Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50078063
(CHEMBL70319 | Trifluoro-methanesulfonic acid 8-chl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18ClF3N4O3S/c1-26-6-8-27(9-7-26)18-14-11-13(30-31(28,29)19(21,22)23)3-5-15(14)24-16-4-2-12(20)10-17(16)25-18/h2-5,10-11,24H,6-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Göteborg
Curated by ChEMBL
| Assay Description
Binding affinity towards human D4.2 receptor |
J Med Chem 42: 2235-44 (1999)
Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50078061
(CHEMBL73589 | Trifluoro-methanesulfonic acid 11-(4...)Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8| Show InChI InChI=1S/C19H18F3N3O3S2/c1-24-8-10-25(11-9-24)18-14-12-13(28-30(26,27)19(20,21)22)6-7-16(14)29-17-5-3-2-4-15(17)23-18/h2-7,12H,8-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Göteborg
Curated by ChEMBL
| Assay Description
Binding affinity towards human D4.2 receptor |
J Med Chem 42: 2235-44 (1999)
Article DOI: 10.1021/jm991005d
BindingDB Entry DOI: 10.7270/Q2KH0MH7 |
More data for this
Ligand-Target Pair | |
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