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Compile Data Set for Download or QSAR

Found 542 hits with Last Name = 'hodson' and Initial = 'sj'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421580
PNG
(CHEMBL117248)
Show SMILES CSc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1D-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421641
PNG
(CHEMBL277375)
Show SMILES C(Nc1ccccc1-c1cc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C13H15N5/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)(H,17,18)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand binding to human Alpha-1A adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421578
PNG
(CHEMBL13789)
Show SMILES C(Oc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H16N2O/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)
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n/an/a 28n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421593
PNG
(CHEMBL357129)
Show SMILES C(Oc1ccccc1-c1ccc[nH]1)C1=NCCN1
Show InChI InChI=1S/C14H15N3O/c1-2-6-13(18-10-14-16-8-9-17-14)11(4-1)12-5-3-7-15-12/h1-7,15H,8-10H2,(H,16,17)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
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n/an/a 35n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1A adrenergic receptor expressed in rat-1 fibroblasts cells


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421595
PNG
(CHEMBL143562)
Show SMILES Cc1ccoc1-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H16N2O2/c1-11-6-9-18-15(11)12-4-2-3-5-13(12)19-10-14-16-7-8-17-14/h2-6,9H,7-8,10H2,1H3,(H,16,17)
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n/an/a 35n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
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n/an/a 38n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1D adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421641
PNG
(CHEMBL277375)
Show SMILES C(Nc1ccccc1-c1cc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C13H15N5/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)(H,17,18)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand binding to human aAlpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421599
PNG
(CHEMBL155326)
Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)
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n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1D adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421602
PNG
(CHEMBL351542)
Show SMILES CO\N=C\c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H16N4O/c1-17-16-8-10-4-2-3-5-11(10)15-9-12-13-6-7-14-12/h2-5,8,15H,6-7,9H2,1H3,(H,13,14)/b16-8+
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n/an/a 43n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1D adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421599
PNG
(CHEMBL155326)
Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)
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n/an/a 46n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1A adrenergic receptor expressed in rat-1 fibroblasts cells


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421594
PNG
(CHEMBL356605)
Show SMILES C(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-6-14(19-11-15-17-8-9-18-15)13(5-1)12-4-3-7-16-10-12/h1-7,10H,8-9,11H2,(H,17,18)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421593
PNG
(CHEMBL357129)
Show SMILES C(Oc1ccccc1-c1ccc[nH]1)C1=NCCN1
Show InChI InChI=1S/C14H15N3O/c1-2-6-13(18-10-14-16-8-9-17-14)11(4-1)12-5-3-7-15-12/h1-7,15H,8-10H2,(H,16,17)
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n/an/a 54n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Alpha-1D adrenergic receptor expressed in rat-1 fibroblast membranes


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421575
PNG
(CHEMBL118055)
Show SMILES CSc1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C11H13N3S/c1-15-11-5-3-2-4-10(11)13-7-9-6-12-8-14-9/h2-6,8,13H,7H2,1H3,(H,12,14)
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n/an/a 58n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1D-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421578
PNG
(CHEMBL13789)
Show SMILES C(Oc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H16N2O/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)
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n/an/a 66n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1A-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198247
PNG
(2-(3,4-dimethylphenyl)-3-(4-methoxyphenethyl)-2-me...)
Show SMILES COc1ccc(CCN2C(=O)CSC2(C)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C21H25NO2S/c1-15-5-8-18(13-16(15)2)21(3)22(20(23)14-25-21)12-11-17-6-9-19(24-4)10-7-17/h5-10,13H,11-12,14H2,1-4H3
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n/an/a 69n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421576
PNG
(CHEMBL325745)
Show SMILES CCCNC(=O)c1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C14H18N4O/c1-2-7-16-14(19)12-5-3-4-6-13(12)17-9-11-8-15-10-18-11/h3-6,8,10,17H,2,7,9H2,1H3,(H,15,18)(H,16,19)
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n/an/a 78n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1A-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
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n/an/a 81n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1A adrenergic receptor expressed in rat-1 fibroblasts cells


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421512
PNG
(CHEMBL95523)
Show SMILES CNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H16N4O/c1-13-12(17)9-4-2-3-5-10(9)16-8-11-14-6-7-15-11/h2-5,16H,6-8H2,1H3,(H,13,17)(H,14,15)
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n/an/a 89n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198249
PNG
(2-(3,4-dimethylphenyl)-3-(4-methoxybenzyloxy)thiaz...)
Show SMILES COc1ccc(CON2C(SCC2=O)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C19H21NO3S/c1-13-4-7-16(10-14(13)2)19-20(18(21)12-24-19)23-11-15-5-8-17(22-3)9-6-15/h4-10,19H,11-12H2,1-3H3
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n/an/a 95n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50218599
PNG
(CHEMBL115059)
Show SMILES Cc1ccc(C)c(OCc2c[nH]cn2)c1
Show InChI InChI=1S/C12H14N2O/c1-9-3-4-10(2)12(5-9)15-7-11-6-13-8-14-11/h3-6,8H,7H2,1-2H3,(H,13,14)
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n/an/a 102n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-prazosin at alpha1 adrenoceptors isolated from rat brain


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421580
PNG
(CHEMBL117248)
Show SMILES CSc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/a 107n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1A-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198255
PNG
(2-(3,4-dichlorophenyl)-3-(4-methoxybenzyloxy)thiaz...)
Show SMILES COc1ccc(CON2C(SCC2=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H15Cl2NO3S/c1-22-13-5-2-11(3-6-13)9-23-20-16(21)10-24-17(20)12-4-7-14(18)15(19)8-12/h2-8,17H,9-10H2,1H3
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421592
PNG
(CHEMBL420683)
Show SMILES C(Oc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-7-14(19-11-15-17-9-10-18-15)12(5-1)13-6-3-4-8-16-13/h1-8H,9-11H2,(H,17,18)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Alpha-1A adrenergic receptor using membranes prepared from Rat-1 fibroblasts expressing human Alpha-1A adrenergi...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421601
PNG
(CHEMBL154298)
Show SMILES C(Nc1ccccc1-c1ccccn1)C1=NCCN1
Show InChI InChI=1S/C15H16N4/c1-2-6-14(19-11-15-17-9-10-18-15)12(5-1)13-7-3-4-8-16-13/h1-8,19H,9-11H2,(H,17,18)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1D adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421597
PNG
(CHEMBL155327)
Show SMILES C(Nc1ccccc1-c1ccno1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50099574
PNG
(2-(3,4-Dimethyl-phenyl)-3-[2-(4-methoxy-phenyl)-et...)
Show SMILES COc1ccc(CCN2C(SCC2=O)c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C20H23NO2S/c1-14-4-7-17(12-15(14)2)20-21(19(22)13-24-20)11-10-16-5-8-18(23-3)9-6-16/h4-9,12,20H,10-11,13H2,1-3H3
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50039004
PNG
((S)-2-({5-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimi...)
Show SMILES Nc1nc(N)c(CCCNc2cnc(s2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C16H21N7O6S/c17-11-7(12(26)23-16(18)22-11)2-1-5-19-9-6-20-14(30-9)13(27)21-8(15(28)29)3-4-10(24)25/h6,8,19H,1-5H2,(H,21,27)(H,24,25)(H,28,29)(H5,17,18,22,23,26)
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Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit glycinamide ribonucleotide transformylase (GAR-Tfase) in vitro, using hog liver with (6R)-10-formyl-FH4 as cofactor


J Med Chem 37: 2112-5 (1994)


Article DOI: 10.1021/jm00039a025
BindingDB Entry DOI: 10.7270/Q2KH0MCF
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198261
PNG
(1-(2-(3,4-dimethylphenyl)thiazolidin-3-yl)-3-(4-me...)
Show SMILES COc1ccc(CCC(=O)N2CCSC2c2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C21H25NO2S/c1-15-4-8-18(14-16(15)2)21-22(12-13-25-21)20(23)11-7-17-5-9-19(24-3)10-6-17/h4-6,8-10,14,21H,7,11-13H2,1-3H3
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421641
PNG
(CHEMBL277375)
Show SMILES C(Nc1ccccc1-c1cc[nH]n1)C1=NCCN1
Show InChI InChI=1S/C13H15N5/c1-2-4-11(16-9-13-14-7-8-15-13)10(3-1)12-5-6-17-18-12/h1-6,16H,7-9H2,(H,14,15)(H,17,18)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand binding to human Alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198260
PNG
(1-(2-(3,4-dimethylphenyl)thiazolidin-3-yl)-2-pheno...)
Show SMILES Cc1ccc(cc1C)C1SCCN1C(=O)COc1ccccc1
Show InChI InChI=1S/C19H21NO2S/c1-14-8-9-16(12-15(14)2)19-20(10-11-23-19)18(21)13-22-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13H2,1-2H3
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421602
PNG
(CHEMBL351542)
Show SMILES CO\N=C\c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H16N4O/c1-17-16-8-10-4-2-3-5-11(10)15-9-12-13-6-7-14-12/h2-5,8,15H,6-7,9H2,1H3,(H,13,14)/b16-8+
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421575
PNG
(CHEMBL118055)
Show SMILES CSc1ccccc1NCc1cnc[nH]1
Show InChI InChI=1S/C11H13N3S/c1-15-11-5-3-2-4-10(11)13-7-9-6-12-8-14-9/h2-6,8,13H,7H2,1H3,(H,12,14)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1A-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198254
PNG
(2-(3,4-dimethylphenyl)-3-(2-methoxybenzyloxy)thiaz...)
Show SMILES COc1ccccc1CON1C(SCC1=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C19H21NO3S/c1-13-8-9-15(10-14(13)2)19-20(18(21)12-24-19)23-11-16-6-4-5-7-17(16)22-3/h4-10,19H,11-12H2,1-3H3
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198257
PNG
(2-(3,4-dichlorophenyl)-3-(3-methoxybenzyloxy)thiaz...)
Show SMILES COc1cccc(CON2C(SCC2=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C17H15Cl2NO3S/c1-22-13-4-2-3-11(7-13)9-23-20-16(21)10-24-17(20)12-5-6-14(18)15(19)8-12/h2-8,17H,9-10H2,1H3
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198256
PNG
(2-(4-chlorophenyl)-3-(4-methoxybenzyloxy)thiazolid...)
Show SMILES COc1ccc(CON2C(SCC2=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H16ClNO3S/c1-21-15-8-2-12(3-9-15)10-22-19-16(20)11-23-17(19)13-4-6-14(18)7-5-13/h2-9,17H,10-11H2,1H3
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421600
PNG
(CHEMBL156661)
Show SMILES C(Nc1ccccc1-c1ncccn1)C1=NCCN1
Show InChI InChI=1S/C14H15N5/c1-2-5-12(19-10-13-15-8-9-16-13)11(4-1)14-17-6-3-7-18-14/h1-7,19H,8-10H2,(H,15,16)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1A adrenergic receptor expressed in rat-1 fibroblasts cells


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421596
PNG
(CHEMBL154023)
Show SMILES Cc1ncoc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H16N4O/c1-10-14(19-9-18-10)11-4-2-3-5-12(11)17-8-13-15-6-7-16-13/h2-5,9,17H,6-8H2,1H3,(H,15,16)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1A adrenergic receptor expressed in rat-1 fibroblasts cells


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421640
PNG
(CHEMBL17851)
Show SMILES Cn1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H17N5/c1-19-13(6-7-18-19)11-4-2-3-5-12(11)17-10-14-15-8-9-16-14/h2-7,17H,8-10H2,1H3,(H,15,16)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against radioligand binding to human Alpha-1A adrenergic receptor, expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198244
PNG
(2-(3,4-dichlorophenyl)-3-(2-methoxybenzyloxy)thiaz...)
Show SMILES COc1ccccc1CON1C(SCC1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2NO3S/c1-22-15-5-3-2-4-12(15)9-23-20-16(21)10-24-17(20)11-6-7-13(18)14(19)8-11/h2-8,17H,9-10H2,1H3
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198258
PNG
(3-(benzyloxy)-2-(3,4-dimethylphenyl)thiazolidin-4-...)
Show SMILES Cc1ccc(cc1C)C1SCC(=O)N1OCc1ccccc1
Show InChI InChI=1S/C18H19NO2S/c1-13-8-9-16(10-14(13)2)18-19(17(20)12-22-18)21-11-15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3
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Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421512
PNG
(CHEMBL95523)
Show SMILES CNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H16N4O/c1-13-12(17)9-4-2-3-5-10(9)16-8-11-14-6-7-15-11/h2-5,16H,6-8H2,1H3,(H,13,17)(H,14,15)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Alpha-1A adrenergic receptor in human


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421580
PNG
(CHEMBL117248)
Show SMILES CSc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned human alpha-1B-adrenoreceptor receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50003896
PNG
((DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(...)
Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)
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Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of hog liver GAR transformylase with (6R)-10-formyl-FH4 as cofactor


J Med Chem 35: 1399-410 (1992)


Article DOI: 10.1021/jm00086a008
BindingDB Entry DOI: 10.7270/Q20R9NBZ
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50005518
PNG
((S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahyd...)
Show SMILES Nc1nc2NCC(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Show InChI InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12?,15-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit glycinamide ribonucleotide transformylase (GAR-Tfase) in vitro, using hog liver with (6R)-10-formyl-FH4 as cofactor


J Med Chem 37: 2112-5 (1994)


Article DOI: 10.1021/jm00039a025
BindingDB Entry DOI: 10.7270/Q2KH0MCF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421516
PNG
(CHEMBL319553)
Show SMILES CC(C)OC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H19N3O2/c1-10(2)19-14(18)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)
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n/an/a 224n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of binding against Alpha-1A adrenergic receptor in human


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421598
PNG
(CHEMBL117381)
Show SMILES C(Nc1ccccc1-c1cnco1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-8-13-15-5-6-16-13)10(3-1)12-7-14-9-18-12/h1-4,7,9,17H,5-6,8H2,(H,15,16)
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n/an/a 229n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50421594
PNG
(CHEMBL356605)
Show SMILES C(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-6-14(19-11-15-17-8-9-18-15)13(5-1)12-4-3-7-16-10-12/h1-7,10H,8-9,11H2,(H,17,18)
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n/an/a 257n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Alpha-1D adrenergic receptor expressed in rat-1 fibroblast membranes


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50218595
PNG
(CHEMBL117380)
Show SMILES Clc1cccc(Cl)c1NCc1c[nH]cn1
Show InChI InChI=1S/C10H9Cl2N3/c11-8-2-1-3-9(12)10(8)14-5-7-4-13-6-15-7/h1-4,6,14H,5H2,(H,13,15)
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n/an/a 263n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-prazosin at alpha1 adrenoceptors isolated from rat brain


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50198252
PNG
(2-(3,4-dimethylphenyl)-3-(3-methoxybenzyloxy)thiaz...)
Show SMILES COc1cccc(CON2C(SCC2=O)c2ccc(C)c(C)c2)c1
Show InChI InChI=1S/C19H21NO3S/c1-13-7-8-16(9-14(13)2)19-20(18(21)12-24-19)23-11-15-5-4-6-17(10-15)22-3/h4-10,19H,11-12H2,1-3H3
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n/an/a 269n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Kv1.5 mediated ultra-rapid delayed rectifier current Ikur in human atrial cells


Bioorg Med Chem Lett 17: 282-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.007
BindingDB Entry DOI: 10.7270/Q2S18256
More data for this
Ligand-Target Pair
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