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Compile Data Set for Download or QSAR

Found 744 hits with Last Name = 'kwon' and Initial = 'y'   
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
Muscarinic acetylcholine receptor


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.0297n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.0383n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.0540n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.0880n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding to CHO cells bearing transfected muscarinic acetylcholine receptor M1


J Med Chem 34: 1436-40 (1991)


BindingDB Entry DOI: 10.7270/Q2QC043X
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.0881n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.0986n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288943
PNG
(CHEMBL154519 | Quinoline-2-carboxylic acid {(R)-1-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C38H51N5O6S/c1-38(2,3)42-37(47)33-21-27-15-8-9-16-28(27)22-43(33)23-34(44)31(20-25-12-6-5-7-13-25)40-36(46)32(24-50(4,48)49)41-35(45)30-19-18-26-14-10-11-17-29(26)39-30/h5-7,10-14,17-19,27-28,31-34,44H,8-9,15-16,20-24H2,1-4H3,(H,40,46)(H,41,45)(H,42,47)/t27-,28+,31-,32-,33-,34+/m0/s1
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0.113n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.118n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.130n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288941
PNG
((3S,4aS,8aS)-2-((2R,3S)-2-Hydroxy-3-{(R)-2-[2-(5-h...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1nccc2c(O)cccc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C41H57N5O7S/c1-40(2,3)45-38(50)33-22-27-15-10-11-16-28(27)24-46(33)25-35(48)32(21-26-13-8-7-9-14-26)43-39(51)37(41(4,5)54(6,52)53)44-36(49)23-31-29-17-12-18-34(47)30(29)19-20-42-31/h7-9,12-14,17-20,27-28,32-33,35,37,47-48H,10-11,15-16,21-25H2,1-6H3,(H,43,51)(H,44,49)(H,45,50)/t27-,28+,32-,33-,35+,37+/m0/s1
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0.151n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288942
PNG
(CHEMBL154692 | {(R)-1-[(1S,2R)-1-Benzyl-3-((3S,4aS...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C38H56N4O7S/c1-37(2,3)41-34(44)31-22-28-19-13-14-20-29(28)23-42(31)24-32(43)30(21-26-15-9-7-10-16-26)39-35(45)33(38(4,5)50(6,47)48)40-36(46)49-25-27-17-11-8-12-18-27/h7-12,15-18,28-33,43H,13-14,19-25H2,1-6H3,(H,39,45)(H,40,46)(H,41,44)/t28-,29+,30-,31-,32+,33+/m0/s1
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0.162n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.166n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288939
PNG
(CHEMBL345187 | Quinoline-2-carboxylic acid {(R)-1-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C40H55N5O6S/c1-39(2,3)44-37(48)33-23-28-17-10-11-18-29(28)24-45(33)25-34(46)32(22-26-14-8-7-9-15-26)42-38(49)35(40(4,5)52(6,50)51)43-36(47)31-21-20-27-16-12-13-19-30(27)41-31/h7-9,12-16,19-21,28-29,32-35,46H,10-11,17-18,22-25H2,1-6H3,(H,42,49)(H,43,47)(H,44,48)/t28-,29+,32-,33-,34+,35+/m0/s1
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0.172n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.177n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Compound was tested for binding activity against rat muscarinic acetylcholine receptor M2 using [3H]QNB as the radioligand


J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.196n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.197n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.220n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.224n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.254n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.279n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.297n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.300n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.302n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.329n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding to CHO cells bearing transfected muscarinic acetylcholine receptor M3


J Med Chem 34: 1436-40 (1991)


BindingDB Entry DOI: 10.7270/Q2QC043X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.337n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.337n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.344n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
muscarinic acetylcholine receptor M1


J Med Chem 34: 1436-40 (1991)


BindingDB Entry DOI: 10.7270/Q2QC043X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453183
PNG
(CHEMBL2114060)
Show SMILES CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 |r,THB:8:7:1.2:4,0:1:7.6:4|
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1
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0.423n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.449n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
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0.452n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.459n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.459n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.472n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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0.472n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding to CHO cells bearing transfected muscarinic acetylcholine receptor M3


J Med Chem 34: 1436-40 (1991)


BindingDB Entry DOI: 10.7270/Q2QC043X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.475n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50453183
PNG
(CHEMBL2114060)
Show SMILES CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 |r,THB:8:7:1.2:4,0:1:7.6:4|
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1
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0.522n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50453188
PNG
(CHEMBL2115124)
Show SMILES CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 |r,THB:8:7:1.2:4,0:1:7.6:4|
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
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0.533n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM9294
PNG
((3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C39H53N5O4/c1-25(2)35(42-36(46)31-20-19-27-15-11-12-18-30(27)40-31)38(48)41-32(21-26-13-7-6-8-14-26)34(45)24-44-23-29-17-10-9-16-28(29)22-33(44)37(47)43-39(3,4)5/h6-8,11-15,18-20,25,28-29,32-35,45H,9-10,16-17,21-24H2,1-5H3,(H,41,48)(H,42,46)(H,43,47)/t28-,29+,32-,33-,34+,35-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Glutathione S-transferase theta 1


(Rattus norvegicus)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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0.680n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against muscarinic acetylcholine receptor M3, using [3H]-QNB as the radioligand.


J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453188
PNG
(CHEMBL2115124)
Show SMILES CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 |r,THB:8:7:1.2:4,0:1:7.6:4|
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
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0.876n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50368152
PNG
(CHEMBL318812)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO3/c1-23-15-16-12-19(23)14-20(13-16)26-21(24)22(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,25H,12-15H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50453183
PNG
(CHEMBL2114060)
Show SMILES CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 |r,THB:8:7:1.2:4,0:1:7.6:4|
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Muscarinic receptor M1 and M2


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO2/c1-23-15-16-12-19(23)14-20(13-16)25-22(24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO2/c1-23-15-16-12-19(23)14-20(13-16)25-22(24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50453182
PNG
(CHEMBL2114061)
Show SMILES CN1CC2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C1C2 |r,TLB:6:5:1.2:24,0:1:5.4:24|
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-16-13-19(20)23(2)15-16/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50288940
PNG
(CHEMBL154416 | Quinoline-2-carboxylic acid {(R)-1-...)
Show SMILES CSC(C)(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C40H55N5O4S/c1-39(2,3)44-37(48)33-23-28-17-10-11-18-29(28)24-45(33)25-34(46)32(22-26-14-8-7-9-15-26)42-38(49)35(40(4,5)50-6)43-36(47)31-21-20-27-16-12-13-19-30(27)41-31/h7-9,12-16,19-21,28-29,32-35,46H,10-11,17-18,22-25H2,1-6H3,(H,42,49)(H,43,47)(H,44,48)/t28-,29+,32-,33-,34+,35+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against P2 site in HIV protease.


Bioorg Med Chem Lett 6: 585-588 (1996)


Article DOI: 10.1016/0960-894X(96)00086-8
BindingDB Entry DOI: 10.7270/Q2KH0N9Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368150
PNG
(CHEMBL326640)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
Show InChI InChI=1S/C22H25NO2/c1-23-15-16-12-19(23)14-20(13-16)25-22(24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50011851
PNG
(2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo...)
Show SMILES CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
Show InChI InChI=1S/C23H27NO2/c1-23(18-9-5-3-6-10-18,19-11-7-4-8-12-19)22(25)26-21-14-17-13-20(15-21)24(2)16-17/h3-12,17,20-21H,13-16H2,1-2H3
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2.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50453182
PNG
(CHEMBL2114061)
Show SMILES CN1CC2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C1C2 |r,TLB:6:5:1.2:24,0:1:5.4:24|
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-16-13-19(20)23(2)15-16/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
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4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50453188
PNG
(CHEMBL2115124)
Show SMILES CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 |r,THB:8:7:1.2:4,0:1:7.6:4|
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL




J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
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