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Compile Data Set for Download or QSAR

Found 143 hits with Last Name = 'chen' and Initial = 'sr'   
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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231595
PNG
(CHEMBL4092832)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1
PDB

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0.200n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231590
PNG
(CHEMBL4063997)
Show SMILES CCCn1c(Oc2cccnc2C)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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0.280n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231595
PNG
(CHEMBL4092832)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(O)c1
PDB

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1n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231589
PNG
(CHEMBL4073088)
Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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2.20n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50005429
PNG
(CHEMBL4070288)
Show SMILES CCc1ccc(cc1)C(=O)NCC1N(C)CCc2ccccc12
Show InChI InChI=1S/C40H51N3O5S/c1-6-27(4)25-41-37(45)24-36(44)35(21-26(2)3)42-39(47)40(49(5)48)43-38(46)32(22-30-17-11-15-28-13-7-9-19-33(28)30)23-31-18-12-16-29-14-8-10-20-34(29)31/h7-20,26-27,32,35-36,40,44H,6,21-25H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)/t27-,35+,36+,40?,49?/m0/s1
PDB

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2.30n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231597
PNG
(CHEMBL4102409)
Show SMILES CCCn1c(Oc2cccc(OC)c2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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2.30n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231709
PNG
(CHEMBL4083067)
Show SMILES CCCn1c(Oc2cccnc2Cl)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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3.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50007985
PNG
(CHEMBL4097865)
Show SMILES CCc1ccc(cc1)C(=O)NCC1NCCc2ccccc12
Show InChI InChI=1S/C42H51ClN8O8S/c1-42(2,3)59-41(58)51-33(22-26-24-46-30-14-8-7-13-29(26)30)38(56)48-31(15-9-10-20-45-40(60)47-28-18-16-27(43)17-19-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)21-25-11-5-4-6-12-25/h4-8,11-14,16-19,24,31-34,46H,9-10,15,20-23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,58)(H,52,53)(H2,45,47,60)/t31-,32?,33?,34?/m0/s1
PDB

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4.70n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50042064
PNG
(CHEMBL4097466)
Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O2/c1-26-17-11-12-18(26)14-19(13-17)28-24(27)21-15-23(16-7-3-2-4-8-16)25-22-10-6-5-9-20(21)22/h2-10,15,17-19H,11-14H2,1H3
PDB

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5.30n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231707
PNG
(CHEMBL4085564)
Show SMILES CCCn1c(Oc2cccc3cc[nH]c23)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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5.5n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231707
PNG
(CHEMBL4085564)
Show SMILES CCCn1c(Oc2cccc3cc[nH]c23)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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5.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231588
PNG
(CHEMBL4084453)
Show SMILES CCCn1c(Oc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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5.90n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015426
PNG
(CHEMBL4070750)
Show SMILES Cc1ccc(cc1)C(=O)NCC1NCCc2ccccc12
Show InChI InChI=1S/C14H13N3O4S/c1-8-11(13(18)21-2)12(16-14(15-8)22-3)9-5-4-6-10(7-9)17(19)20/h4-7H,1-3H3
PDB

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6.5n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231590
PNG
(CHEMBL4063997)
Show SMILES CCCn1c(Oc2cccnc2C)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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6.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50009239
PNG
(CHEMBL4092125)
Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28+,29-,30?,31-,32?,33+,35-,36-/m0/s1
PDB

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6.90n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231593
PNG
(CHEMBL4068469)
Show SMILES CCCn1c(OC2CCC(O)C2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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9.60n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231710
PNG
(CHEMBL4101044)
Show SMILES CCCn1c(Oc2cccc(O)c2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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11n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231715
PNG
(CHEMBL4088084)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(c1)C(F)(F)F
PDB

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12n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231592
PNG
(CHEMBL4078636)
Show SMILES CCCn1c(OC2CCOCC2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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12n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231589
PNG
(CHEMBL4073088)
Show SMILES CCCn1c(Oc2cncc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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12n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231591
PNG
(CHEMBL4090857)
Show SMILES CCCn1c(OC2CCCC2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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13n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231596
PNG
(CHEMBL4074150)
Show SMILES CCCn1c(Oc2ccc(F)c(F)c2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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13n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231597
PNG
(CHEMBL4102409)
Show SMILES CCCn1c(Oc2cccc(OC)c2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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13n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231591
PNG
(CHEMBL4090857)
Show SMILES CCCn1c(OC2CCCC2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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14n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231594
PNG
(CHEMBL4065762)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1
PDB

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15n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231594
PNG
(CHEMBL4065762)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1
PDB

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16n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231588
PNG
(CHEMBL4084453)
Show SMILES CCCn1c(Oc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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19n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231592
PNG
(CHEMBL4078636)
Show SMILES CCCn1c(OC2CCOCC2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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20n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231598
PNG
(CHEMBL4101929)
Show SMILES CCCn1c(NCc2ccc(cc2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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23n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231596
PNG
(CHEMBL4074150)
Show SMILES CCCn1c(Oc2ccc(F)c(F)c2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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23n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231718
PNG
(CHEMBL4073565)
Show SMILES CCCn1c(NCc2ccc(C)cc2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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27n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50008523
PNG
(CHEMBL4071332)
Show SMILES CN1CCc2ccccc2C1CNC(=O)c1ccc(C)c(C)c1
Show InChI InChI=1S/C32H54N4O8/c1-4-12-22(34-30(43)24(18-21-15-10-7-11-16-21)36-31(44)32(3,33)5-2)29(42)35-23(17-20-13-8-6-9-14-20)26(39)28(41)27(40)25(38)19-37/h7,10-11,15-16,20,22-28,37-41H,4-6,8-9,12-14,17-19,33H2,1-3H3,(H,34,43)(H,35,42)(H,36,44)/t22?,23-,24?,25+,26+,27+,28+,32?/m0/s1
PDB

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31n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231704
PNG
(CHEMBL4099951)
Show SMILES CCCn1c(Oc2ccc3[nH]ccc3c2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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36n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50015433
PNG
(CHEMBL4105599)
Show SMILES Cc1ccc(cc1C)C(=O)NCC1NCCc2ccccc12
Show InChI InChI=1S/C16H18N4O4/c1-5-24-15(21)13-10(2)17-16(19(3)4)18-14(13)11-7-6-8-12(9-11)20(22)23/h6-9H,5H2,1-4H3
PDB

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36n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231713
PNG
(CHEMBL4059809)
Show SMILES [H][C@]1(CCOC1)Oc1nc2nc([nH]c2c(=O)n1CCC)C1CCCC1 |r|
PDB

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50n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50008003
PNG
(CHEMBL4065924)
Show SMILES Clc1ccc(cc1Cl)C(=O)NCC1NCCc2ccccc12
Show InChI InChI=1S/C43H54N8O8S/c1-26-14-8-10-18-30(26)50-41(60)45-21-13-12-20-32(38(55)49-35(24-36(52)53)40(57)48-33(37(44)54)22-27-15-6-5-7-16-27)47-39(56)34(51-42(58)59-43(2,3)4)23-28-25-46-31-19-11-9-17-29(28)31/h5-11,14-19,25,32-35,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,58)(H,52,53)(H2,45,50,60)/t32-,33?,34?,35?/m0/s1
PDB

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54n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231593
PNG
(CHEMBL4068469)
Show SMILES CCCn1c(OC2CCC(O)C2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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57n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231711
PNG
(CHEMBL4096654)
Show SMILES CCCn1c(OC2CCOC2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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59n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231708
PNG
(CHEMBL4072594)
Show SMILES CCCn1c(Oc2cccc3[nH]ccc23)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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74n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231712
PNG
(CHEMBL4095810)
Show SMILES [H][C@@]1(CCOC1)Oc1nc2nc([nH]c2c(=O)n1CCC)C1CCCC1 |r|
PDB

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85n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231599
PNG
(CHEMBL4064971)
Show SMILES CCCn1c(NCc2cccc(Cl)c2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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120n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231734
PNG
(CHEMBL4067683)
Show SMILES CCCn1c(Nc2cccc(c2)C(F)(F)F)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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370n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50231590
PNG
(CHEMBL4063997)
Show SMILES CCCn1c(Oc2cccnc2C)nc2nc([nH]c2c1=O)C1CCCC1
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560n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231703
PNG
(CHEMBL4092203)
Show SMILES CCCn1c(Oc2ccc(C)nc2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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630n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor


(Homo sapiens (Human))
BDBM50231594
PNG
(CHEMBL4065762)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(OC)c1
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650n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231714
PNG
(CHEMBL4082701)
Show SMILES CCCn1c(nc2nc([nH]c2c1=O)C1CCCC1)-c1cccc(c1)C(N)=O
PDB

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>1.00E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231600
PNG
(CHEMBL4078579)
Show SMILES CCCn1c(Nc2ccccc2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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>1.00E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231601
PNG
(CHEMBL4095098)
Show SMILES CCCn1c(Nc2ccc(F)cc2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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>1.00E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231716
PNG
(CHEMBL4093311)
Show SMILES CCCn1c(Oc2cc(C)ccn2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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>1.00E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50231717
PNG
(CHEMBL4062924)
Show SMILES CCCn1c(OC2CCN(C)C2)nc2nc([nH]c2c1=O)C1CCCC1
PDB

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>1.00E+3n/an/an/an/an/an/an/an/a



Advinus Therapeutics Ltd.

Curated by ChEMBL




Bioorg Med Chem 25: 1963-1975 (2017)


BindingDB Entry DOI: 10.7270/Q2KH0QKC
More data for this
Ligand-Target Pair
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