Found 14 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 |
|---|
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218779
(CHEMBL306899)Show InChI InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 24 | 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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218777
(CHEMBL66626)Show InChI InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 92 | 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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50080029
(4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...)Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 180 | 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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218782
(CHEMBL70615)Show InChI InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 305 | 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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218774
(CHEMBL68831)Show InChI InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 305 | 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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218781
(CHEMBL69219)Show InChI InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 610 | 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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218780
(CHEMBL302292)Show SMILES OC(CN1CCC(O)(Cc2ccc(Br)cc2)CC1)Cc1ccc(O)cc1 Show InChI InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 2.44E+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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218778
(CHEMBL65954)Show InChI InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4.51E+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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218775
(CHEMBL69429)Show SMILES OC(CN1CCC(O)(Cc2ccc(Cl)cc2)CC1)Cc1ccc(O)cc1 Show InChI InChI=1S/C21H26ClNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 5.61E+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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218776
(CHEMBL68881)Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 5.92E+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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50103133
(1-[(R)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4...)Show SMILES Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1 Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.30E+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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]-prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50103131
(1-[(S)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4...)Show SMILES Cc1ccc(CC2(O)CCN(C[C@@H](O)Cc3ccc(O)cc3)CC2)cc1 Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.30E+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
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]-prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2B
(Rattus norvegicus (Rat)) | BDBM50103133
(1-[(R)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4...)Show SMILES Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1 Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3/t21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for in vitro inhibition of recombinant rat NR1C/2B receptor expressed in xenopus oocytes |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 2A
(Rattus norvegicus (Rat)) | BDBM50103133
(1-[(R)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4...)Show SMILES Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1 Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3/t21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Evaluated for in vitro inhibition of recombinant rat NR1C/2A receptor expressed in xenopus oocytes |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this
Ligand-Target Pair | |
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