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Compile Data Set for Download or QSAR

Found 2094 hits with Last Name = 'lak' and Initial = 'p'   
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
B2 bradykinin receptor


(Cavia porcellus)
BDBM50406750
PNG
(Firazyr | HOE-140 | Icatibant)
Show SMILES [H][C@]12C[C@H](N(C(=O)[C@H]3Cc4ccccc4CN3C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum.


J Med Chem 36: 1450-60 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1QS1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Cavia porcellus)
BDBM50406751
PNG
(CHEMBL2369941)
Show SMILES [#6]-[#6]-[#6]-[#6]-1-[#6]-[#6@@H](-[#7](-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccsc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H](-[#8])-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-1-2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C57H93N19O13S/c1-2-9-31-25-43(53(87)75-39-14-4-3-10-33(39)26-42(75)49(83)71-36(54(88)89)13-7-21-67-57(63)64)74(28-31)51(85)38(29-77)72-47(81)37(24-32-18-23-90-30-32)69-44(78)27-68-48(82)40-16-17-45(79)76(40)52(86)41-15-8-22-73(41)50(84)35(12-6-20-66-56(61)62)70-46(80)34(58)11-5-19-65-55(59)60/h18,23,30-31,33-43,45,77,79H,2-17,19-22,24-29,58H2,1H3,(H,68,82)(H,69,78)(H,70,80)(H,71,83)(H,72,81)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t31?,33?,34-,35+,36+,37+,38+,39?,40+,41+,42+,43-,45+/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum.


J Med Chem 36: 1450-60 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1QS1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.230n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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0.300n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82010
PNG
(1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
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0.630n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50446130
PNG
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)
Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23
Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
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0.700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H2A and H2B) a...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115819
BindingDB Entry DOI: 10.7270/Q21N84R1
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Cavia porcellus)
BDBM50406749
PNG
(CHEMBL2028979)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N1[C@@H](CC2CCCCC12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C60H91N19O12/c61-38(19-9-25-68-58(62)63)49(82)73-39(20-10-26-69-59(64)65)54(87)78-29-13-24-46(78)56(89)77-28-12-23-45(77)52(85)71-33-48(81)72-41(30-35-14-3-1-4-15-35)50(83)76-43(34-80)51(84)75-42(31-36-16-5-2-6-17-36)55(88)79-44-22-8-7-18-37(44)32-47(79)53(86)74-40(57(90)91)21-11-27-70-60(66)67/h1-6,14-17,37-47,80H,7-13,18-34,61H2,(H,71,85)(H,72,81)(H,73,82)(H,74,86)(H,75,84)(H,76,83)(H,90,91)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t37?,38-,39+,40+,41+,42-,43+,44?,45+,46+,47+/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity against bradykinin receptor B2 from guinea pig ileum.


J Med Chem 36: 1450-60 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1QS1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011824
PNG
(8-Cyclopentyl-1-methyl-3-propyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-12-10(13(19)17(2)14(18)20)15-11(16-12)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
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0.850n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011842
PNG
(8-Cyclopentyl-3-methyl-1-propyl-3,7-dihydro-purine...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-13(19)10-12(17(2)14(18)20)16-11(15-10)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
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1.10n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011838
PNG
(8-(4-Hydroxy-phenyl)-3-methyl-1-propyl-3,7-dihydro...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H16N4O3/c1-3-8-19-14(21)11-13(18(2)15(19)22)17-12(16-11)9-4-6-10(20)7-5-9/h4-7,20H,3,8H2,1-2H3,(H,16,17)
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1.30n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50446130
PNG
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)
Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23
Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human full length PARP1 (2 to 1041 residues) expressed in baculovirus infected Sf9 cells using histone mixture (H...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115819
BindingDB Entry DOI: 10.7270/Q21N84R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50585913
PNG
(CHEMBL5093295)
Show SMILES Clc1ccc(CNC[C@H]2CCn3ccnc3C2)c2ncccc12 |r|
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011835
PNG
(8-Cyclohexyl-1-methyl-3-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C15H22N4O2/c1-3-9-19-13-11(14(20)18(2)15(19)21)16-12(17-13)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,16,17)
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1.80n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011825
PNG
(1,3-Dipropyl-8-thiophen-3-yl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccsc1
Show InChI InChI=1S/C15H18N4O2S/c1-3-6-18-13-11(14(20)19(7-4-2)15(18)21)16-12(17-13)10-5-8-22-9-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17)
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2n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50585914
PNG
(CHEMBL5079273)
Show SMILES Clc1ccc(CNCCc2cccnc2)c2ncccc12
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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 1 uM incubated for 2 hr by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011836
PNG
(8-(4-Hydroxy-phenyl)-1-methyl-3-propyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H16N4O3/c1-3-8-19-13-11(14(21)18(2)15(19)22)16-12(17-13)9-4-6-10(20)7-5-9/h4-7,20H,3,8H2,1-2H3,(H,16,17)
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2.5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50423452
PNG
(CHEMBL401166)
Show SMILES O[C@H]1C[C@@H](O[C@@H]1OP(O)(O)=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C8H10N3O10P/c12-4-1-5(20-7(4)21-22(17,18)19)10-2-3(11(15)16)6(13)9-8(10)14/h2,4-5,7,12H,1H2,(H,9,13,14)(H2,17,18,19)/t4-,5+,7+/m0/s1
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2.57n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse thymidylate synthase in mouse L1210 cells


Bioorg Med Chem 15: 2346-58 (2007)


Article DOI: 10.1016/j.bmc.2007.01.021
BindingDB Entry DOI: 10.7270/Q21G0NK7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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2.80n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50084626
PNG
(CHEMBL284440 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N...)
Show SMILES O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C38H35Cl2N3O8/c39-26-11-13-32(29(40)20-26)49-22-35(45)41-30(18-24-6-2-1-3-7-24)31(44)21-42(16-14-25-10-12-33-34(19-25)51-23-50-33)36(46)15-17-43-37(47)27-8-4-5-9-28(27)38(43)48/h1-13,19-20,30-31,44H,14-18,21-23H2,(H,41,45)/t30-,31-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human Cathepsin D


J Med Chem 45: 1412-9 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JSH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50585912
PNG
(CHEMBL5075486)
Show SMILES Clc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)c2ncccc12 |r|
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3.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011841
PNG
(1,3-Dipropyl-8-pyridin-4-yl-3,7-dihydro-purine-2,6...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccncc1
Show InChI InChI=1S/C16H19N5O2/c1-3-9-20-14-12(15(22)21(10-4-2)16(20)23)18-13(19-14)11-5-7-17-8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)
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3.20n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50005366
PNG
(1,3-Dipropyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccs1
Show InChI InChI=1S/C15H18N4O2S/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
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3.20n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50585909
PNG
(CHEMBL5089996)
Show SMILES CN1CC[C@H](CNCc2ccc(Cl)c3cccnc23)CC1=O |r|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011833
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H19N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)
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4.5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011846
PNG
(1-Methyl-3-propyl-8-thiophen-3-yl-3,7-dihydro-puri...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
Show InChI InChI=1S/C13H14N4O2S/c1-3-5-17-11-9(12(18)16(2)13(17)19)14-10(15-11)8-4-6-20-7-8/h4,6-7H,3,5H2,1-2H3,(H,14,15)
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4.70n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011839
PNG
(8-Cyclohexyl-3-methyl-1-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C15H22N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,16,17)
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5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50110934
PNG
(CHEMBL30483 | N-((1S,3S)-1-Benzyl-3-{[2-(2,4-dichl...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C38H36BrCl2N3O7/c1-50-33-20-28(29(39)21-34(33)51-2)36(47)42-31(18-23-8-4-3-5-9-23)32(45)22-43(16-14-24-12-13-25(40)19-30(24)41)35(46)15-17-44-37(48)26-10-6-7-11-27(26)38(44)49/h3-13,19-21,31-32,45H,14-18,22H2,1-2H3,(H,42,47)/t31-,32-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human Cathepsin D


J Med Chem 45: 1412-9 (2002)


BindingDB Entry DOI: 10.7270/Q25T3JSH
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011845
PNG
(4-(3-Methyl-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N5O2/c1-3-8-21-15(22)12-14(20(2)16(21)23)19-13(18-12)11-6-4-10(9-17)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,19)
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6n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540611
PNG
(CHEMBL4643466)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C23H30N2O/c1-17-22-15-18-9-10-20(26)16-21(18)23(17,2)11-12-25(22)14-13-24(3)19-7-5-4-6-8-19/h4-10,16-17,22,26H,11-15H2,1-3H3/t17-,22+,23+/m0/s1
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6.10n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011840
PNG
(1-Methyl-8-phenyl-3-propyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-13-11(14(20)18(2)15(19)21)16-12(17-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)
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6.30n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011843
PNG
(3-Methyl-1-propyl-8-thiophen-3-yl-3,7-dihydro-puri...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccsc1
Show InChI InChI=1S/C13H14N4O2S/c1-3-5-17-12(18)9-11(16(2)13(17)19)15-10(14-9)8-4-6-20-7-8/h4,6-7H,3,5H2,1-2H3,(H,14,15)
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6.40n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50585911
PNG
(CHEMBL5093969)
Show SMILES Clc1ccc(CNCC[C@@H]2CCOC2)c2ncccc12 |r|
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6.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50585910
PNG
(CHEMBL5094012)
Show SMILES Clc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)C2)c2ncccc12 |r|
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6.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5-HT5A receptor at 32 uM incubated for 2 hr by radioligand binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI: 10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011834
PNG
(3-Methyl-8-phenyl-1-propyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)
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7n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540598
PNG
(CHEMBL4633897)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-6-5-7-17(2)24(16)26-23(29)10-12-27-13-11-25(4)18(3)22(27)14-19-8-9-20(28)15-21(19)25/h5-9,15,18,22,28H,10-14H2,1-4H3,(H,26,29)/t18-,22+,25+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540602
PNG
(CHEMBL4642448)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cc(C)ccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-5-6-17(2)22(13-16)26-24(29)9-11-27-12-10-25(4)18(3)23(27)14-19-7-8-20(28)15-21(19)25/h5-8,13,15,18,23,28H,9-12,14H2,1-4H3,(H,26,29)/t18-,23+,25+/m0/s1
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7.90n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM85807
PNG
(Beta-PEA | CAS_60-12-8 | NSC_6054)
Show SMILES OCCc1ccccc1
Show InChI InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
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8n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 98: 8966-71 (2001)


Article DOI: 10.1073/pnas.151105198
BindingDB Entry DOI: 10.7270/Q2G15ZD5
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50423448
PNG
(CHEMBL254204)
Show SMILES CCCc1cn([C@H]2C[C@H](O)[C@@H](OP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O8P/c1-2-3-6-5-13(11(16)12-9(6)15)8-4-7(14)10(20-8)21-22(17,18)19/h5,7-8,10,14H,2-4H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8+,10+/m0/s1
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8.12n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse thymidylate synthase in mouse L1210 cells


Bioorg Med Chem 15: 2346-58 (2007)


Article DOI: 10.1016/j.bmc.2007.01.021
BindingDB Entry DOI: 10.7270/Q21G0NK7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011828
PNG
(1-Methyl-3-propyl-8-thiophen-2-yl-3,7-dihydro-puri...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
Show InChI InChI=1S/C13H14N4O2S/c1-3-6-17-11-9(12(18)16(2)13(17)19)14-10(15-11)8-5-4-7-20-8/h4-5,7H,3,6H2,1-2H3,(H,14,15)
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8.90n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011848
PNG
(3-Methyl-1-propyl-8-thiophen-2-yl-3,7-dihydro-puri...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccs1
Show InChI InChI=1S/C13H14N4O2S/c1-3-6-17-12(18)9-11(16(2)13(17)19)15-10(14-9)8-5-4-7-20-8/h4-5,7H,3,6H2,1-2H3,(H,14,15)
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9.70n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011849
PNG
(1,3-Dipropyl-8-pyridin-3-yl-3,7-dihydro-purine-2,6...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccnc1
Show InChI InChI=1S/C16H19N5O2/c1-3-8-20-14-12(15(22)21(9-4-2)16(20)23)18-13(19-14)11-6-5-7-17-10-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,19)
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12n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011844
PNG
(4-(1-Methyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N5O2/c1-3-8-21-14-12(15(22)20(2)16(21)23)18-13(19-14)11-6-4-10(9-17)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,19)
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14n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540601
PNG
(CHEMBL4641938)
Show SMILES CCc1cccc(C)c1NC(=O)CCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:13:14:19:23.29.22|
Show InChI InChI=1S/C26H34N2O2/c1-5-19-8-6-7-17(2)25(19)27-24(30)11-13-28-14-12-26(4)18(3)23(28)15-20-9-10-21(29)16-22(20)26/h6-10,16,18,23,29H,5,11-15H2,1-4H3,(H,27,30)/t18-,23+,26+/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540600
PNG
(CHEMBL4638339)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-5-8-22(17(2)13-16)26-24(29)9-11-27-12-10-25(4)18(3)23(27)14-19-6-7-20(28)15-21(19)25/h5-8,13,15,18,23,28H,9-12,14H2,1-4H3,(H,26,29)/t18-,23+,25+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50006713
PNG
(1,3-Dipropyl-8-styryl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O |w:8.8|
Show InChI InChI=1S/C19H22N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)
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22n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011829
PNG
(1-Methyl-3-propyl-8-pyridin-4-yl-3,7-dihydro-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccncc1
Show InChI InChI=1S/C14H15N5O2/c1-3-8-19-12-10(13(20)18(2)14(19)21)16-11(17-12)9-4-6-15-7-5-9/h4-7H,3,8H2,1-2H3,(H,16,17)
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22n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Ribonuclease pancreatic


(Homo sapiens (Human))
BDBM50402338
PNG
(CHEMBL401150)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(O)=O)n2ccc(=O)[nH]c2=O)[C@@H](OP(O)(O)=O)[C@H]1O |r|
Show InChI InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of RNase A


Bioorg Med Chem 20: 7184-93 (2012)


Article DOI: 10.1016/j.bmc.2012.09.067
BindingDB Entry DOI: 10.7270/Q2M61MDG
More data for this
Ligand-Target Pair
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