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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'bortolato' and Initial = 'm'   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
AP-2 complex subunit sigma


(RAT)
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 102: 18620-5 (2005)


Article DOI: 10.1073/pnas.0509591102
BindingDB Entry DOI: 10.7270/Q2F47MQJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50580362
PNG
(CHEMBL5086854)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |r,c:12,t:10|
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Negative allosteric modulation activity at human GABAA alpha4beta3gamma2 stably expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00562
BindingDB Entry DOI: 10.7270/Q2TX3K7P
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50580362
PNG
(CHEMBL5086854)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |r,c:12,t:10|
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Negative allosteric modulation activity at human GABAA alpha1beta1gamma2 stably expressed in HEK cells by whole cell patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00562
BindingDB Entry DOI: 10.7270/Q2TX3K7P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50580362
PNG
(CHEMBL5086854)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |r,c:12,t:10|
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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Negative allosteric modulation activity at human GABAA alpha3beta3gamma2 stably expressed in HEK cells by whole cell patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00562
BindingDB Entry DOI: 10.7270/Q2TX3K7P
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50580362
PNG
(CHEMBL5086854)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |r,c:12,t:10|
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n/an/a 1.57E+4n/an/an/an/an/an/a


TBA

Assay Description
Negative allosteric modulation activity at human GABAA alpha2beta3gamma2 stably expressed in HEK cells by whole cell patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00562
BindingDB Entry DOI: 10.7270/Q2TX3K7P
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50580362
PNG
(CHEMBL5086854)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |r,c:12,t:10|
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n/an/a 1.94E+4n/an/an/an/an/an/a


TBA

Assay Description
Negative allosteric modulation activity at human GABAA alpha5beta3gamma2 stably expressed in HEK cells by patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00562
BindingDB Entry DOI: 10.7270/Q2TX3K7P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50580362
PNG
(CHEMBL5086854)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |r,c:12,t:10|
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n/an/a 2.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Negative allosteric modulation activity at human GABAA alpha1beta3gamma2 stably expressed in HEK cells by whole cell patch clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00562
BindingDB Entry DOI: 10.7270/Q2TX3K7P
More data for this
Ligand-Target Pair