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Compile Data Set for Download or QSAR

Found 3213 hits with Last Name = 'chang' and Initial = 'l'   
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-2C adrenergic receptor


(Homo sapiens (Human))
BDBM81811
PNG
(CAS_123679 | L-657,743 | MK-912 | NSC_123679)
Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3
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0.0700n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human kappa opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186588
PNG
(8-cyclopentyl-2,6-diphenyl-9H-purine | CHEMBL20782...)
Show SMILES C1CCC(C1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)
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0.290n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303852
PNG
((+)-trans-3-(2-Phenylethyl)-2,3,4,4aalpha,5,6,7,7a...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CCc4ccccc4)CC[C@]213 |r|
Show InChI InChI=1S/C23H27NO2/c25-20-10-5-9-19-22(20)26-21-11-4-8-18-16-24(15-13-23(18,19)21)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-10,18,21,25H,4,8,11-16H2/t18-,21-,23-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50249134
PNG
(4-(4-fluoronaphthalen-1-yl)-6-isopropylpyrimidin-2...)
Show SMILES CC(C)c1cc(nc(N)n1)-c1ccc(F)c2ccccc12
Show InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
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0.320n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.360n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50065757
PNG
((S)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c...)
Show SMILES C[C@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m0/s1
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0.362n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50065774
PNG
((R)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c...)
Show SMILES C[C@@H](C(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C22H16ClN5O2/c1-13(14-6-3-2-4-7-14)21(29)26-22-24-17-10-9-15(23)12-16(17)20-25-19(27-28(20)22)18-8-5-11-30-18/h2-13H,1H3,(H,24,26,29)/t13-/m1/s1
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0.468n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205280
PNG
(2,6-diphenyl-8-isobutyl-1-deazapurine | CHEMBL2214...)
Show SMILES CC(C)Cc1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3/c1-15(2)13-20-24-21-18(16-9-5-3-6-10-16)14-19(23-22(21)25-20)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)
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0.550n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50065756
PNG
(CHEMBL317580 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tri...)
Show SMILES Clc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C27H18ClN5O2/c28-19-13-14-21-20(16-19)25-30-24(22-12-7-15-35-22)32-33(25)27(29-21)31-26(34)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23H,(H,29,31,34)
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0.586n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205281
PNG
(2,6-diphenyl-8-isopropyl-1-deazapurine | CHEMBL221...)
Show SMILES CC(C)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3/c1-14(2)20-23-19-17(15-9-5-3-6-10-15)13-18(22-21(19)24-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,22,23,24)
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0.610n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205286
PNG
(8-cyclopentyl-2,6-diphenyl-1-deazapurin | CHEMBL21...)
Show SMILES C1CCC(C1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-3-9-16(10-4-1)19-15-20(17-11-5-2-6-12-17)24-23-21(19)25-22(26-23)18-13-7-8-14-18/h1-6,9-12,15,18H,7-8,13-14H2,(H,24,25,26)
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0.620n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
ADRA2A


(MOUSE)
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.620n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303848
PNG
((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303848
PNG
((+)-trans-3-Methyl-2,3,4,4aalpha,5,6,7,7aalpha-oct...)
Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1O |r|
Show InChI InChI=1S/C16H21NO2/c1-17-9-8-16-11(10-17)4-2-7-14(16)19-15-12(16)5-3-6-13(15)18/h3,5-6,11,14,18H,2,4,7-10H2,1H3/t11-,14-,16-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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0.650n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at cloned human adenosine A3 receptor expressed in HEK-293 cells was determined using [125I]-AB-MECA as radioligand


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
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0.650n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.


J Med Chem 40: 2596-608 (1997)


Article DOI: 10.1021/jm970091j
BindingDB Entry DOI: 10.7270/Q21V5D29
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186599
PNG
(8-cyclohexyl-2,6-diphenyl-9H-purine | CHEMBL207529...)
Show SMILES C1CCC(CC1)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C23H22N4/c1-4-10-16(11-5-1)19-20-23(26-21(24-19)17-12-6-2-7-13-17)27-22(25-20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H,24,25,26,27)
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0.730n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM22170
PNG
((2S)-1-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}pip...)
Show SMILES O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C28H32F2N2O2/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)34-19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22/h1-13,27-28,33H,14-21H2/t27-/m0/s1
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0.75 -48.4n/an/an/an/an/a7.44



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.790n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50186590
PNG
(8-isopropyl-2,6-diphenyl-9H-purine | CHEMBL204780 ...)
Show SMILES CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)
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0.820n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 2861-7 (2006)


Article DOI: 10.1021/jm050640i
BindingDB Entry DOI: 10.7270/Q2348JZ4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81811
PNG
(CAS_123679 | L-657,743 | MK-912 | NSC_123679)
Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3
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0.850n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205285
PNG
(2,6-diphenyl-8-(1-ethylpropyl)-1-deazapurine | CHE...)
Show SMILES CCC(CC)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-16(4-2)22-25-21-19(17-11-7-5-8-12-17)15-20(24-23(21)26-22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3,(H,24,25,26)
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0.870n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens (Human))
BDBM50226415
PNG
(CHEMBL3142312)
Show SMILES [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6]C([#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O)([#6]-2-[#6]-[#6]-[#6]-[#6]-2)[#6]-2-[#6]-[#6]-[#6]-[#6]-2)cc1
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0.880n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


BindingDB Entry DOI: 10.7270/Q2MG7RRN
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM81811
PNG
(CAS_123679 | L-657,743 | MK-912 | NSC_123679)
Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3
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0.890n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205283
PNG
(2,6-diphenyl-8-cyclohexyl-1-deazapurine | CHEMBL21...)
Show SMILES C1CCC(CC1)c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
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0.900n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM22199
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
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0.900n/an/an/an/an/an/an/an/a



National Taiwan University



Assay Description
The assay was initiated by the addition of membranes to binding buffer containing test compound, blocker, and radioligand. The samples were incubated...


J Med Chem 51: 2795-806 (2008)


Article DOI: 10.1021/jm701270n
BindingDB Entry DOI: 10.7270/Q2B27SK6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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0.980n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM85522
PNG
(LY-23728 | LY23728)
Show SMILES COc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1OC
Show InChI InChI=1S/C20H22N2O2/c1-23-18-8-7-13(12-19(18)24-2)11-17-20-15(9-10-21-17)14-5-3-4-6-16(14)22-20/h3-8,12,17,21-22H,9-11H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50065775
PNG
(5-Amino-pentanoic acid (9-chloro-2-furan-2-yl-[1,2...)
Show SMILES NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H17ClN6O2/c19-11-6-7-13-12(10-11)17-23-16(14-4-3-9-27-14)24-25(17)18(21-13)22-15(26)5-1-2-8-20/h3-4,6-7,9-10H,1-2,5,8,20H2,(H,21,22,26)
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1.13n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50065771
PNG
(4-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...)
Show SMILES OC(=O)CCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H14ClN5O4/c19-10-6-7-12-11(9-10)17-22-16(13-3-2-8-28-13)23-24(17)18(20-12)21-14(25)4-1-5-15(26)27/h2-3,6-9H,1,4-5H2,(H,26,27)(H,20,21,25)
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1.15n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Sus scrofa)
BDBM50020671
PNG
(13-(2-Amino-ethyl)-19-benzyl-22-(4-ethoxy-benzyl)-...)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)cc1
Show InChI InChI=1S/C46H69N11O8S2/c1-4-65-31-17-15-30(16-18-31)25-34-41(61)55-35(24-29-12-7-5-8-13-29)42(62)57-38(28(2)3)44(64)54-33(19-22-47)40(60)56-36(43(63)53-32(39(48)59)14-11-23-51-45(49)50)27-66-67-46(26-37(58)52-34)20-9-6-10-21-46/h5,7-8,12-13,15-18,28,32-36,38H,4,6,9-11,14,19-27,47H2,1-3H3,(H2,48,59)(H,52,58)(H,53,63)(H,54,64)(H,55,61)(H,56,60)(H,57,62)(H4,49,50,51)/t32-,33-,34+,35-,36-,38+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LVP stimulated adenylate cyclase activity in pig kidney medullary membrane


J Med Chem 29: 984-8 (1986)


BindingDB Entry DOI: 10.7270/Q27M06W4
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375504
PNG
(CHEMBL259704)
Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C23H20N4O/c24-15-19-20(16-9-3-1-4-10-16)25-23(27-22(28)18-13-7-8-14-18)26-21(19)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-14H2,(H,25,26,27,28)
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1.20n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50205279
PNG
(2,6-diphenyl-1-deazapurine | CHEMBL220535)
Show SMILES c1nc2c(cc(nc2[nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H13N3/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)21-18-17(15)19-12-20-18/h1-12H,(H,19,20,21)
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1.20n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


J Med Chem 50: 828-34 (2007)


Article DOI: 10.1021/jm0607956
BindingDB Entry DOI: 10.7270/Q2VX0G65
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50053936
PNG
(4-Amino-N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1...)
Show SMILES NCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H15ClN6O2/c18-10-5-6-12-11(9-10)16-22-15(13-3-2-8-26-13)23-24(16)17(20-12)21-14(25)4-1-7-19/h2-3,5-6,8-9H,1,4,7,19H2,(H,20,21,25)
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1.38n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity was determined in radioligand binding assay at rat striatal Adenosine A2A receptor vs [3H]-CGS- 21680


J Med Chem 41: 2835-45 (1998)


Article DOI: 10.1021/jm980094b
BindingDB Entry DOI: 10.7270/Q25Q4V7D
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM35256
PNG
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)
Show SMILES [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 127: 1075-82 (1999)


Article DOI: 10.1038/sj.bjp.0702632
BindingDB Entry DOI: 10.7270/Q24748DG
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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1.62n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens (Human))
BDBM50226410
PNG
(CHEMBL3142318)
Show SMILES [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6]C([#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O)([#6]-2-[#6]-[#6]-[#6]-[#6]-2)[#6]-2-[#6]-[#6]-[#6]-[#6]-2)cc1 |r|
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1.70n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


BindingDB Entry DOI: 10.7270/Q2MG7RRN
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens (Human))
BDBM50226412
PNG
(CHEMBL3142332)
Show SMILES [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6]C([#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O)([#6]-2-[#6]-[#6]-[#6]-[#6]-2)[#6]-2-[#6]-[#6]-[#6]-[#6]-2)cc1
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1.70n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


BindingDB Entry DOI: 10.7270/Q2MG7RRN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375500
PNG
(CHEMBL259607)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)
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1.80n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem 16: 2741-52 (2008)


Article DOI: 10.1016/j.bmc.2008.01.013
BindingDB Entry DOI: 10.7270/Q2K35VHW
More data for this
Ligand-Target Pair
Adenylate cyclase type 4


(Homo sapiens (Human))
BDBM50226411
PNG
(CHEMBL3142329)
Show SMILES [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6]C([#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O)([#6]-2-[#6]-[#6]-[#6]-[#6]-2)[#6]-2-[#6]-[#6]-[#6]-[#6]-2)cc1
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1.90n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2291-4 (1987)


BindingDB Entry DOI: 10.7270/Q2MG7RRN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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2n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from human delta opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50150075
PNG
(2-Amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-me...)
Show SMILES COc1cccc(c1)-c1c(C#N)c(N)nc(SCc2ncc[nH]2)c1C#N
Show InChI InChI=1S/C18H14N6OS/c1-25-12-4-2-3-11(7-12)16-13(8-19)17(21)24-18(14(16)9-20)26-10-15-22-5-6-23-15/h2-7H,10H2,1H3,(H2,21,24)(H,22,23)
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2n/an/an/an/an/an/an/an/a



University of Leiden

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX


J Med Chem 47: 3707-9 (2004)


Article DOI: 10.1021/jm049947s
BindingDB Entry DOI: 10.7270/Q2833SS3
More data for this
Ligand-Target Pair
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