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Compile Data Set for Download or QSAR

Found 1390 hits with Last Name = 'bell' and Initial = 'k'   
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
Apelin receptor


(Homo sapiens (Human))
BDBM50244625
PNG
(CHEMBL4076049)
Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCN(C\C=C/C[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)S(=O)(=O)c1ccccc1[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C75H116N24O20S/c1-4-5-17-48-70(111)97-35-16-25-58(97)69(110)91-51(73(114)115)19-9-11-33-95(120(118,119)59-26-7-6-22-55(59)99(116)117)37-29-50(72(113)98-36-15-24-57(98)68(109)90-48)89-61(102)45(18-8-10-30-76)86-65(106)53(39-44-40-81-42-84-44)93-66(107)54(41-100)94-64(105)52(38-43(2)3)92-62(103)46(20-12-31-82-74(77)78)87-67(108)56-23-14-34-96(56)71(112)49(21-13-32-83-75(79)80)88-63(104)47-27-28-60(101)85-47/h6-7,9,11,22,26,40,42-43,45-54,56-58,100H,4-5,8,10,12-21,23-25,27-39,41,76H2,1-3H3,(H,81,84)(H,85,101)(H,86,106)(H,87,108)(H,88,104)(H,89,102)(H,90,109)(H,91,110)(H,92,103)(H,93,107)(H,94,105)(H,114,115)(H4,77,78,82)(H4,79,80,83)/b11-9-/t45-,46-,47-,48-,49-,50-,51+,52-,53-,54-,56-,57-,58-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244579
PNG
(CHEMBL4094033)
Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCN(C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)S(=O)(=O)c1ccccc1[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C75H116N24O20S/c1-4-5-17-48-70(111)97-35-16-25-58(97)69(110)91-51(73(114)115)19-9-11-33-95(120(118,119)59-26-7-6-22-55(59)99(116)117)37-29-50(72(113)98-36-15-24-57(98)68(109)90-48)89-61(102)45(18-8-10-30-76)86-65(106)53(39-44-40-81-42-84-44)93-66(107)54(41-100)94-64(105)52(38-43(2)3)92-62(103)46(20-12-31-82-74(77)78)87-67(108)56-23-14-34-96(56)71(112)49(21-13-32-83-75(79)80)88-63(104)47-27-28-60(101)85-47/h6-7,9,11,22,26,40,42-43,45-54,56-58,100H,4-5,8,10,12-21,23-25,27-39,41,76H2,1-3H3,(H,81,84)(H,85,101)(H,86,106)(H,87,108)(H,88,104)(H,89,102)(H,90,109)(H,91,110)(H,92,103)(H,93,107)(H,94,105)(H,114,115)(H4,77,78,82)(H4,79,80,83)/b11-9-/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-,58-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244587
PNG
(CHEMBL4076652)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C68H106N20O16/c1-5-17-41(56(93)79-42(21-10-11-29-69)55(92)76-37-54(91)86-32-14-24-50(86)61(98)82-45(18-6-2)64(101)87-33-16-26-52(87)63(100)84-48(66(103)104)36-40-19-8-7-9-20-40)78-60(97)49(38-89)85-59(96)47(35-39(3)4)83-57(94)43(22-12-30-74-67(70)71)80-62(99)51-25-15-34-88(51)65(102)46(23-13-31-75-68(72)73)81-58(95)44-27-28-53(90)77-44/h5-9,19-20,39,41-52,89H,1-2,10-18,21-38,69H2,3-4H3,(H,76,92)(H,77,90)(H,78,97)(H,79,93)(H,80,99)(H,81,95)(H,82,98)(H,83,94)(H,84,100)(H,85,96)(H,103,104)(H4,70,71,74)(H4,72,73,75)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453675
PNG
(CHEMBL2113400)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C18H16ClIN6O5/c1-21-16(30)12-10(27)11(28)17(31-12)26-6-22-9-13(24-18(19)25-14(9)26)23-15(29)7-3-2-4-8(20)5-7/h2-6,10-12,17,27-28H,1H3,(H,21,30)(H,23,24,25,29)/t10-,11+,12-,17+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50014619
PNG
(CHEMBL3184840)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor from guinea pig brain (minus cerebellum) homogenates, using the novel [3H]-(+/-)-4 as radioligand


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433602
PNG
(CHEMBL2381980)
Show SMILES C[C@H](Oc1nc(Nc2cc(C)n[nH]2)nc(N2CCOCC2)c1F)c1ncc(F)cn1
Show InChI InChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1
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0.720n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 3105-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.111
BindingDB Entry DOI: 10.7270/Q23T9JMX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Apelin receptor


(Homo sapiens (Human))
BDBM50077999
PNG
(CHEMBL3417291)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C70H110N22O16/c1-4-5-18-46(66(105)92-32-15-24-54(92)65(104)88-50(68(107)108)34-41-16-7-6-8-17-41)85-63(102)52-22-13-30-90(52)56(95)37-79-57(96)43(19-9-10-27-71)82-61(100)49(35-42-36-76-39-80-42)87-62(101)51(38-93)89-60(99)48(33-40(2)3)86-58(97)44(20-11-28-77-69(72)73)83-64(103)53-23-14-31-91(53)67(106)47(21-12-29-78-70(74)75)84-59(98)45-25-26-55(94)81-45/h6-8,16-17,36,39-40,43-54,93H,4-5,9-15,18-35,37-38,71H2,1-3H3,(H,76,80)(H,79,96)(H,81,94)(H,82,100)(H,83,103)(H,84,98)(H,85,102)(H,86,97)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,72,73,77)(H4,74,75,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50118812
PNG
((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244578
PNG
(CHEMBL4076755)
Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C67H108N22O16/c1-4-5-15-42-62(101)89-31-14-23-51(89)61(100)83-45(65(104)105)18-7-6-17-43(63(102)88-30-13-22-50(88)60(99)82-42)80-53(92)39(16-8-9-26-68)78-57(96)47(33-38-34-73-36-76-38)85-58(97)48(35-90)86-56(95)46(32-37(2)3)84-54(93)40(19-10-27-74-66(69)70)79-59(98)49-21-12-29-87(49)64(103)44(20-11-28-75-67(71)72)81-55(94)41-24-25-52(91)77-41/h6-7,34,36-37,39-51,90H,4-5,8-33,35,68H2,1-3H3,(H,73,76)(H,77,91)(H,78,96)(H,79,98)(H,80,92)(H,81,94)(H,82,99)(H,83,100)(H,84,93)(H,85,97)(H,86,95)(H,104,105)(H4,69,70,74)(H4,71,72,75)/b7-6-/t39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50032527
PNG
(17-cyclopropylmethyl-10-ethoxy-4-hydroxy-3-methoxy...)
Show SMILES CCO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2ccc(O)c(OC)c12
Show InChI InChI=1S/C23H31NO4/c1-3-28-23-9-8-17(25)13-22(23)10-11-24(14-15-4-5-15)19(23)12-16-6-7-18(26)21(27-2)20(16)22/h6-7,15,19,26H,3-5,8-14H2,1-2H3/t19?,22?,23-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membr...


J Med Chem 38: 3071-7 (1995)


Article DOI: 10.1021/jm00016a010
BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244576
PNG
(CHEMBL4078407)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@H]1C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C66H102N20O16/c1-37(2)33-45(81-55(92)41(20-10-28-72-65(68)69)78-60(97)49-23-13-31-85(49)63(100)44(21-11-29-73-66(70)71)79-56(93)42-25-26-51(88)75-42)57(94)83-47(36-87)58(95)77-40-17-6-7-19-43(62(99)86-32-14-24-50(86)61(98)82-46(64(101)102)34-38-15-4-3-5-16-38)80-59(96)48-22-12-30-84(48)52(89)35-74-53(90)39(76-54(40)91)18-8-9-27-67/h3-7,15-16,37,39-50,87H,8-14,17-36,67H2,1-2H3,(H,74,90)(H,75,88)(H,76,91)(H,77,95)(H,78,97)(H,79,93)(H,80,96)(H,81,92)(H,82,98)(H,83,94)(H,101,102)(H4,68,69,72)(H4,70,71,73)/b7-6-/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433601
PNG
(CHEMBL2381983)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)nc(N2CCOCC2)c1F)c1ncc(F)cc1F
Show InChI InChI=1S/C19H21F3N8O/c1-10-7-14(29-28-10)25-19-26-17(15(22)18(27-19)30-3-5-31-6-4-30)24-11(2)16-13(21)8-12(20)9-23-16/h7-9,11H,3-6H2,1-2H3,(H3,24,25,26,27,28,29)/t11-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 3105-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.111
BindingDB Entry DOI: 10.7270/Q23T9JMX
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244513
PNG
(CHEMBL4072080)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC=C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C69H110N20O16/c1-6-9-23-48(66(103)89-35-18-28-53(89)65(102)86-50(67(104)105)37-41-21-11-10-12-22-41)84-64(101)52-27-17-34-88(52)55(92)38-77-56(93)44(24-13-14-31-70)81-57(94)43(20-8-3)80-63(100)51(39-90)87-62(99)49(36-40(4)5)85-60(97)46(26-16-33-76-69(73)74)82-58(95)42(19-7-2)79-59(96)45(25-15-32-75-68(71)72)83-61(98)47-29-30-54(91)78-47/h7-8,10-12,21-22,40,42-53,90H,2-3,6,9,13-20,23-39,70H2,1,4-5H3,(H,77,93)(H,78,91)(H,79,96)(H,80,100)(H,81,94)(H,82,95)(H,83,98)(H,84,101)(H,85,97)(H,86,102)(H,87,99)(H,104,105)(H4,71,72,75)(H4,73,74,76)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244519
PNG
(CHEMBL4093319)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC=C)C(O)=O
Show InChI InChI=1S/C69H112N22O16/c1-6-9-19-45(65(104)91-33-16-25-53(91)63(102)85-47(18-8-3)67(106)107)84-62(101)52-24-15-31-89(52)64(103)44(17-7-2)82-55(94)41(20-10-11-28-70)80-59(98)49(35-40-36-75-38-78-40)87-60(99)50(37-92)88-58(97)48(34-39(4)5)86-56(95)42(21-12-29-76-68(71)72)81-61(100)51-23-14-32-90(51)66(105)46(22-13-30-77-69(73)74)83-57(96)43-26-27-54(93)79-43/h7-8,36,38-39,41-53,92H,2-3,6,9-35,37,70H2,1,4-5H3,(H,75,78)(H,79,93)(H,80,98)(H,81,100)(H,82,94)(H,83,96)(H,84,101)(H,85,102)(H,86,95)(H,87,99)(H,88,97)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244518
PNG
(CHEMBL4072606)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C69H105N21O16/c1-6-9-21-44(58(96)81-43(18-8-3)57(95)87-50(67(105)106)33-40-19-11-10-12-20-40)82-64(102)52-24-15-30-89(52)55(93)36-77-56(94)42(17-7-2)80-62(100)49(34-41-35-74-38-78-41)86-63(101)51(37-91)88-61(99)48(32-39(4)5)85-59(97)45(22-13-28-75-68(70)71)83-65(103)53-25-16-31-90(53)66(104)47(23-14-29-76-69(72)73)84-60(98)46-26-27-54(92)79-46/h7-8,10-12,19-20,35,38-39,42-53,91H,2-3,6,9,13-18,21-34,36-37H2,1,4-5H3,(H,74,78)(H,77,94)(H,79,92)(H,80,100)(H,81,96)(H,82,102)(H,83,103)(H,84,98)(H,85,97)(H,86,101)(H,87,95)(H,88,99)(H,105,106)(H4,70,71,75)(H4,72,73,76)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132686
PNG
(CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244511
PNG
(CHEMBL4077162)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C69H108N22O15/c1-4-7-22-47(65(103)91-34-17-28-54(91)64(102)87-50(67(105)106)35-41-20-9-8-10-21-41)85-62(100)52-26-15-32-89(52)55(93)38-79-57(95)45(23-11-12-29-70)82-60(98)49(36-42-37-76-40-80-42)86-61(99)51(39-92)88-58(96)44(19-6-3)81-59(97)46(24-13-30-77-68(72)73)83-63(101)53-27-16-33-90(53)66(104)48(25-14-31-78-69(74)75)84-56(94)43(71)18-5-2/h5-6,8-10,20-21,37,40,43-54,92H,2-4,7,11-19,22-36,38-39,70-71H2,1H3,(H,76,80)(H,79,95)(H,81,97)(H,82,98)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,87,102)(H,88,96)(H,105,106)(H4,72,73,77)(H4,74,75,78)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132687
PNG
(CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244514
PNG
(CHEMBL4075302)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC=C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(CC=C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C72H109N21O16/c1-6-9-21-47(67(105)92-33-16-25-55(92)66(104)88-51(70(108)109)36-43-19-11-10-12-20-43)85-64(102)53-24-15-32-90(53)58(96)39-80-59(97)45(18-7-2)83-62(100)50(37-44-38-77-41-81-44)86-63(101)52(40-94)89-61(99)49(35-42(4)5)87-65(103)54(23-14-30-79-72(75)76)91(31-8-3)69(107)56-26-17-34-93(56)68(106)48(22-13-29-78-71(73)74)84-60(98)46-27-28-57(95)82-46/h7-8,10-12,19-20,38,41-42,45-56,94H,2-3,6,9,13-18,21-37,39-40H2,1,4-5H3,(H,77,81)(H,80,97)(H,82,95)(H,83,100)(H,84,98)(H,85,102)(H,86,101)(H,87,103)(H,88,104)(H,89,99)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132685
PNG
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)
Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244586
PNG
(CHEMBL4083756)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC=C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)N(CC=C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C75H116N22O15/c1-6-9-23-51(70(108)96-37-18-28-57(96)69(107)93-55(73(111)112)40-46-21-11-10-12-22-46)90-67(105)56-27-17-36-94(56)61(99)43-84-62(100)49(24-13-14-32-76)88-66(104)54(41-47-42-81-44-85-47)92-63(101)48(20-7-2)87-65(103)53(39-45(4)5)91-64(102)50(25-15-33-82-74(77)78)89-68(106)58-29-19-38-97(58)72(110)59(26-16-34-83-75(79)80)95(35-8-3)71(109)52-30-31-60(98)86-52/h7-8,10-12,21-22,42,44-45,48-59H,2-3,6,9,13-20,23-41,43,76H2,1,4-5H3,(H,81,85)(H,84,100)(H,86,98)(H,87,103)(H,88,104)(H,89,106)(H,90,105)(H,91,102)(H,92,101)(H,93,107)(H,111,112)(H4,77,78,82)(H4,79,80,83)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat striatal homogenates using [3H]YM-09151-2


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244534
PNG
(CHEMBL4083079)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C67H106N20O16/c1-4-5-19-46(64(101)87-33-16-26-51(87)63(100)84-48(65(102)103)35-39-17-7-6-8-18-39)82-62(99)50-25-15-32-86(50)53(90)36-75-54(91)40(22-11-12-29-68)77-55(92)42-21-10-9-20-41(78-57(94)43(23-13-30-73-66(69)70)80-59(96)45-27-28-52(89)76-45)56(93)79-44(24-14-31-74-67(71)72)58(95)83-47(34-38(2)3)60(97)85-49(37-88)61(98)81-42/h6-10,17-18,38,40-51,88H,4-5,11-16,19-37,68H2,1-3H3,(H,75,91)(H,76,89)(H,77,92)(H,78,94)(H,79,93)(H,80,96)(H,81,98)(H,82,99)(H,83,95)(H,84,100)(H,85,97)(H,102,103)(H4,69,70,73)(H4,71,72,74)/b10-9-/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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3n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244515
PNG
(CHEMBL4104256)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC=C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C72H110N22O16/c1-4-7-22-49(68(107)94-36-17-28-56(94)66(105)90-52(70(109)110)37-42-20-9-8-10-21-42)88-65(104)55-27-16-34-92(55)67(106)48(19-6-3)86-60(99)45(23-11-12-31-73)84-62(101)51(38-43-39-78-41-81-43)89-63(102)53(40-95)91-58(97)44(18-5-2)83-59(98)46(24-13-32-79-71(74)75)85-64(103)54-26-15-35-93(54)69(108)50(25-14-33-80-72(76)77)87-61(100)47-29-30-57(96)82-47/h5-6,8-10,20-21,39,41,44-56,95H,2-4,7,11-19,22-38,40,73H2,1H3,(H,78,81)(H,82,96)(H,83,98)(H,84,101)(H,85,103)(H,86,99)(H,87,100)(H,88,104)(H,89,102)(H,90,105)(H,91,97)(H,109,110)(H4,74,75,79)(H4,76,77,80)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50032530
PNG
(17-cyclopropylmethyl-4-hydroxy-3,10-dimethoxy-17-a...)
Show SMILES COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12
Show InChI InChI=1S/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21?,22-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]U-69593 radioligand binding from Opioid receptor kappa 1 in guinea pig brain ...


J Med Chem 38: 3071-7 (1995)


Article DOI: 10.1021/jm00016a010
BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132678
PNG
(CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244523
PNG
(CHEMBL4100822)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C\C=C/CN([C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C73H112N22O15/c1-42(2)35-50-63(101)86-47(20-9-11-31-95(68(106)49-26-27-58(96)84-49)57(22-13-30-81-73(77)78)70(108)94-34-16-25-56(94)66(104)87-48(62(100)88-50)21-12-29-80-72(75)76)61(99)89-51(38-45-39-79-41-83-45)64(102)85-46(19-8-10-28-74)60(98)82-40-59(97)92-32-14-23-54(92)65(103)90-52(36-43(3)4)69(107)93-33-15-24-55(93)67(105)91-53(71(109)110)37-44-17-6-5-7-18-44/h5-7,9,11,17-18,39,41-43,46-57H,8,10,12-16,19-38,40,74H2,1-4H3,(H,79,83)(H,82,98)(H,84,96)(H,85,102)(H,86,101)(H,87,104)(H,88,100)(H,89,99)(H,90,103)(H,91,105)(H,109,110)(H4,75,76,80)(H4,77,78,81)/b11-9-/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132684
PNG
(CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...)
Show SMILES CNCC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3
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4.90n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50032527
PNG
(17-cyclopropylmethyl-10-ethoxy-4-hydroxy-3-methoxy...)
Show SMILES CCO[C@@]12CCC(=O)CC11CCN(CC3CC3)C2Cc2ccc(O)c(OC)c12
Show InChI InChI=1S/C23H31NO4/c1-3-28-23-9-8-17(25)13-22(23)10-11-24(14-15-4-5-15)19(23)12-16-6-7-18(26)21(27-2)20(16)22/h6-7,15,19,26H,3-5,8-14H2,1-2H3/t19?,22?,23-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated by measuring the ability to displace [3H]U-69593 radioligand binding from Opioid receptor kappa 1 in guinea pi...


J Med Chem 38: 3071-7 (1995)


Article DOI: 10.1021/jm00016a010
BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244520
PNG
(CHEMBL4076140)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H]1C\C=C/C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C67H104N22O15/c1-2-3-19-45(63(101)89-32-15-26-52(89)62(100)85-48(65(103)104)33-39-16-5-4-6-17-39)83-60(98)50-24-13-30-87(50)53(91)36-77-55(93)42(21-9-10-27-68)79-58(96)47(34-40-35-74-38-78-40)84-59(97)49(37-90)86-57(95)43-20-8-7-18-41(69)54(92)82-46(23-12-29-76-67(72)73)64(102)88-31-14-25-51(88)61(99)81-44(56(94)80-43)22-11-28-75-66(70)71/h4-8,16-17,35,38,41-52,90H,2-3,9-15,18-34,36-37,68-69H2,1H3,(H,74,78)(H,77,93)(H,79,96)(H,80,94)(H,81,99)(H,82,92)(H,83,98)(H,84,97)(H,85,100)(H,86,95)(H,103,104)(H4,70,71,75)(H4,72,73,76)/b8-7-/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132677
PNG
(CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...)
Show SMILES CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM85195
PNG
(CAS_5311097 | LY 344864 | NSC_5311097)
Show SMILES CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
Show InChI InChI=1S/C21H22FN3O/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26)
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6n/an/an/an/an/an/an/an/a



Eli Lilly and Co.

Curated by PDSP Ki Database




Life Sci 61: 2117-26 (1997)


Article DOI: 10.1016/j.chembiol.2015.08.005
BindingDB Entry DOI: 10.7270/Q2F47MNN
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50132683
PNG
(6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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6n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50454655
PNG
(CHEMBL2111779)
Show SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4-
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6.10n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50032530
PNG
(17-cyclopropylmethyl-4-hydroxy-3,10-dimethoxy-17-a...)
Show SMILES COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12
Show InChI InChI=1S/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21?,22-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membr...


J Med Chem 38: 3071-7 (1995)


Article DOI: 10.1021/jm00016a010
BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-NE re-uptake into synaptosome


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50032526
PNG
(17-allyl-4-hydroxy-3,10-dimethoxy-17-azatetracyclo...)
Show SMILES COc1c(O)ccc2CC3N(CC=C)CCC4(CC(=O)CC[C@@]34OC)c12
Show InChI InChI=1S/C21H27NO4/c1-4-10-22-11-9-20-13-15(23)7-8-21(20,26-3)17(22)12-14-5-6-16(24)19(25-2)18(14)20/h4-6,17,24H,1,7-13H2,2-3H3/t17?,20?,21-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig brain membr...


J Med Chem 38: 3071-7 (1995)


Article DOI: 10.1021/jm00016a010
BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244626
PNG
(CHEMBL4101053)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C\C=C/CN([C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C70H105N21O16/c1-4-5-18-45(65(103)89-31-14-23-53(89)64(102)86-49(68(106)107)34-41-16-7-6-8-17-41)83-62(100)51-22-13-30-88(51)56(94)37-78-57(95)43-19-9-10-29-90(67(105)54-24-15-32-91(54)66(104)46(20-11-27-76-69(71)72)82-58(96)44-25-26-55(93)80-44)52(21-12-28-77-70(73)74)63(101)85-47(33-40(2)3)59(97)87-50(38-92)61(99)84-48(60(98)81-43)35-42-36-75-39-79-42/h6-10,16-17,36,39-40,43-54,92H,4-5,11-15,18-35,37-38H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,98)(H,82,96)(H,83,100)(H,84,99)(H,85,101)(H,86,102)(H,87,97)(H,106,107)(H4,71,72,76)(H4,73,74,77)/b10-9-/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50032528
PNG
(3-butoxy-17-cyclopropylmethyl-4-hydroxy-10-methoxy...)
Show SMILES CCCCOc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12
Show InChI InChI=1S/C25H35NO4/c1-3-4-13-30-23-20(28)8-7-18-14-21-25(29-2)10-9-19(27)15-24(25,22(18)23)11-12-26(21)16-17-5-6-17/h7-8,17,21,28H,3-6,9-16H2,1-2H3/t21?,24?,25-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated by measuring the ability to displace [3H]DAMGO radioligand binding from Opioid receptor mu 1 in guinea pig bra...


J Med Chem 38: 3071-7 (1995)


Article DOI: 10.1021/jm00016a010
BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Adenosine receptor A2a and A3


(Rattus norvegicus)
BDBM50453671
PNG
(CHEMBL2113701)
Show SMILES CNC(=O)[C@H]1O[C@H]([C@@H]2OC(=S)O[C@H]12)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Show InChI InChI=1S/C19H16ClIN6O4S/c1-22-16(28)12-11-13(31-19(32)30-11)17(29-12)27-7-24-10-14(25-18(20)26-15(10)27)23-6-8-3-2-4-9(21)5-8/h2-5,7,11-13,17H,6H2,1H3,(H,22,28)(H,23,25,26)/t11-,12+,13-,17-/m1/s1
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.


J Med Chem 38: 1720-35 (1995)


Article DOI: 10.1021/jm00010a017
BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132680
PNG
(CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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12n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060519
PNG
(3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...)
Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)
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12.1n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50032528
PNG
(3-butoxy-17-cyclopropylmethyl-4-hydroxy-10-methoxy...)
Show SMILES CCCCOc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12
Show InChI InChI=1S/C25H35NO4/c1-3-4-13-30-23-20(28)8-7-18-14-21-25(29-2)10-9-19(27)15-24(25,22(18)23)11-12-26(21)16-17-5-6-17/h7-8,17,21,28H,3-6,9-16H2,1-2H3/t21?,24?,25-/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the ability to displace [3H]U-69593 radioligand binding from Opioid receptor kappa 1 in guinea pig brain ...


J Med Chem 38: 3071-7 (1995)


Article DOI: 10.1021/jm00016a010
BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060516
PNG
(3-((E)-3-Dimethylamino-propenyl)-4-methoxy-N-(4-py...)
Show SMILES COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4+
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13.6n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060519
PNG
(3-(3-Dimethylamino-propyl)-4-hydroxy-N-(4-pyridin-...)
Show SMILES CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)
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14n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50032530
PNG
(17-cyclopropylmethyl-4-hydroxy-3,10-dimethoxy-17-a...)
Show SMILES COc1c(O)ccc2CC3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OC)c12
Show InChI InChI=1S/C22H29NO4/c1-26-20-17(25)6-5-15-11-18-22(27-2)8-7-16(24)12-21(22,19(15)20)9-10-23(18)13-14-3-4-14/h5-6,14,18,25H,3-4,7-13H2,1-2H3/t18?,21?,22-/m1/s1
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14n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vivo binding affinity was evaluated by measuring the ability to displace [3H]DPDPE radioligand binding from delta opioid receptor in guinea pig br...


J Med Chem 38: 3071-7 (1995)


Article DOI: 10.1021/jm00016a010
BindingDB Entry DOI: 10.7270/Q2QJ7HZ2
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50244577
PNG
(CHEMBL4087671)
Show SMILES CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](C\C=C/C[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C67H101N21O16/c1-4-5-17-41-55(93)79-42(57(95)85-48(65(103)104)31-38-15-7-6-8-16-38)19-10-9-18-40(54(92)75-34-53(91)87-28-13-22-50(87)62(100)80-41)78-60(98)47(32-39-33-72-36-76-39)84-61(99)49(35-89)86-59(97)46(30-37(2)3)83-56(94)43(20-11-26-73-66(68)69)81-63(101)51-23-14-29-88(51)64(102)45(21-12-27-74-67(70)71)82-58(96)44-24-25-52(90)77-44/h6-10,15-16,33,36-37,40-51,89H,4-5,11-14,17-32,34-35H2,1-3H3,(H,72,76)(H,75,92)(H,77,90)(H,78,98)(H,79,93)(H,80,100)(H,81,101)(H,82,96)(H,83,94)(H,84,99)(H,85,95)(H,86,97)(H,103,104)(H4,68,69,73)(H4,70,71,74)/b10-9-/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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14n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-[Nle75, Tyr77] Pyr1-apelin-13 from YFP-tagged human APJ receptor expressed in HEK293 cell membranes after 1 hr by gamma-counti...


J Med Chem 61: 2266-2277 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01353
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060518
PNG
(3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-...)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28)
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15n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50060517
PNG
(3-(3-Dimethylamino-prop-1-ynyl)-4-methoxy-N-(4-pyr...)
Show SMILES COc1ccc(cc1C#CCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H23N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,16H2,1-3H3,(H,26,28)
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16n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligand


J Med Chem 40: 3542-50 (1997)


Article DOI: 10.1021/jm9702948
BindingDB Entry DOI: 10.7270/Q21R6PNK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50132685
PNG
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)
Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
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