Found 6 hits for monomerid = 50091349 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 |
|---|
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50091349
(CHEMBL3582271)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count... |
ACS Med Chem Lett 6: 502-6 (2015)
Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM |
More data for this
Ligand-Target Pair | |
Adrenergic alpha1B
(Homo sapiens (Human)) | BDBM50091349
(CHEMBL3582271)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count... |
ACS Med Chem Lett 6: 502-6 (2015)
Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50091349
(CHEMBL3582271)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39) | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count... |
ACS Med Chem Lett 6: 502-6 (2015)
Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50091349
(CHEMBL3582271)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39) | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Prazosin from human alpha-1D adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count... |
ACS Med Chem Lett 6: 502-6 (2015)
Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM |
More data for this
Ligand-Target Pair | |
Adrenergic alpha1B
(Homo sapiens (Human)) | BDBM50091349
(CHEMBL3582271)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Prazosin from human alpha-1B adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count... |
ACS Med Chem Lett 6: 502-6 (2015)
Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50091349
(CHEMBL3582271)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C35H30N6O7S/c1-46-29-16-25-26(17-30(29)47-2)38-34(39-32(25)36)40-9-11-41(12-10-40)35(49)37-18-3-6-21(24(13-18)33(44)45)31-22-7-4-19(42)14-27(22)48-28-15-20(43)5-8-23(28)31/h3-8,13-17,42H,9-12H2,1-2H3,(H,37,49)(H,44,45)(H2,36,38,39) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Prazosin from human alpha-1A adrenergic receptor transfected in CHO cell membranes after 2 hrs by microplate scintillation count... |
ACS Med Chem Lett 6: 502-6 (2015)
Article DOI: 10.1021/ml5004298
BindingDB Entry DOI: 10.7270/Q2VM4DZM |
More data for this
Ligand-Target Pair | |
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