Found 6 hits of Enzyme Inhibition Constant Data 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(1A)/D(1B)/D(2)/D(3)/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
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CHEMBL
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each ... |
J Med Chem 27: 806-10 (1984)
BindingDB Entry DOI: 10.7270/Q26111HB |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
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KEGG
PC cid
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PDB
UniChem
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| DrugBank
PDB
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each ... |
J Med Chem 27: 806-10 (1984)
BindingDB Entry DOI: 10.7270/Q26111HB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM29644
((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
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PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PDB
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each ... |
J Med Chem 27: 806-10 (1984)
BindingDB Entry DOI: 10.7270/Q26111HB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50366495
((+)butaclamol | CHEMBL1255588)Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r| Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1 | PDB
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CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each ... |
J Med Chem 27: 806-10 (1984)
BindingDB Entry DOI: 10.7270/Q26111HB |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(CANINE) | BDBM11638
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) | PDB
UniProtKB/SwissProt
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MCE
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible (dopamine receptor from Canine striatal membranes). Result in... |
J Med Chem 27: 806-10 (1984)
BindingDB Entry DOI: 10.7270/Q26111HB |
More data for this
Ligand-Target Pair | |
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50223516
(CHEMBL283871)Show SMILES [H][C@]12Cc3ccc(O)c(O)c3-c3cccc(CCN1CCCl)c23 |r| Show InChI InChI=1S/C18H18ClNO2/c19-7-9-20-8-6-11-2-1-3-13-16(11)14(20)10-12-4-5-15(21)18(22)17(12)13/h1-5,14,21-22H,6-10H2/t14-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the competitive binding with [3H]spiperone binding to Canine striatal membranes. |
J Med Chem 27: 806-10 (1984)
BindingDB Entry DOI: 10.7270/Q26111HB |
More data for this
Ligand-Target Pair | |
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