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Compile Data Set for Download or QSAR

Found 837 hits Enz. Inhib. hit(s) with Target = 'Apelin' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50078007
PNG
(CHEMBL3417384)
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](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C77H116N22O17/c1-4-5-18-53(73(112)99-36-15-24-61(99)72(111)95-57(75(114)115)38-46-25-27-49(28-26-46)116-43-47-16-7-6-8-17-47)92-70(109)59-22-13-34-97(59)63(102)41-86-64(103)50(19-9-10-31-78)89-68(107)56(39-48-40-83-44-87-48)94-69(108)58(42-100)96-67(106)55(37-45(2)3)93-65(104)51(20-11-32-84-76(79)80)90-71(110)60-23-14-35-98(60)74(113)54(21-12-33-85-77(81)82)91-66(105)52-29-30-62(101)88-52/h6-8,16-17,25-28,40,44-45,50-61,100H,4-5,9-15,18-24,29-39,41-43,78H2,1-3H3,(H,83,87)(H,86,103)(H,88,101)(H,89,107)(H,90,110)(H,91,105)(H,92,109)(H,93,104)(H,94,108)(H,95,111)(H,96,106)(H,114,115)(H4,79,80,84)(H4,81,82,85)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/s2
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0.0160n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
Apelin


(Homo sapiens)
BDBM50009575
PNG
(CHEMBL3234446)
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](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C96H156N34O20S/c1-55(2)47-67(83(140)127-71(53-131)86(143)125-69(50-58-51-109-54-115-58)85(142)116-60(26-11-13-38-98)78(135)114-52-76(133)128-43-18-31-72(128)87(144)122-66(36-46-151-3)91(148)130-45-20-33-74(130)89(146)126-70(92(149)150)49-57-23-8-5-9-24-57)124-81(138)63(29-16-41-112-95(105)106)120-88(145)73-32-19-44-129(73)90(147)65(30-17-42-113-96(107)108)121-82(139)64(34-35-75(100)132)119-80(137)61(27-14-39-110-93(101)102)117-79(136)62(28-15-40-111-94(103)104)118-84(141)68(48-56-21-6-4-7-22-56)123-77(134)59(99)25-10-12-37-97/h4-9,21-24,51,54-55,59-74,131H,10-20,25-50,52-53,97-99H2,1-3H3,(H2,100,132)(H,109,115)(H,114,135)(H,116,142)(H,117,136)(H,118,141)(H,119,137)(H,120,145)(H,121,139)(H,122,144)(H,123,134)(H,124,138)(H,125,143)(H,126,146)(H,127,140)(H,149,150)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172387
PNG
(CHEMBL3808761)
Show SMILES CCCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C76H121N25O17S/c1-6-7-19-49(92-67(111)54(39-119)97-61(105)46(21-12-29-85-75(79)80)89-60(104)45(20-11-28-84-74(77)78)90-62(106)48-26-27-58(103)88-48)70(114)99-31-14-23-55(99)68(112)94-50(34-41(2)3)64(108)93-51(36-44-37-83-40-87-44)65(109)96-53(38-102)66(110)91-47(22-13-30-86-76(81)82)63(107)98-59(42(4)5)72(116)100-32-15-24-56(100)69(113)95-52(35-43-17-9-8-10-18-43)71(115)101-33-16-25-57(101)73(117)118/h8-10,17-18,37,40-42,45-57,59,102,119H,6-7,11-16,19-36,38-39H2,1-5H3,(H,83,87)(H,88,103)(H,89,104)(H,90,106)(H,91,110)(H,92,111)(H,93,108)(H,94,112)(H,95,113)(H,96,109)(H,97,105)(H,98,107)(H,117,118)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)
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0.140n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172383
PNG
(CHEMBL3809968)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C75H119N25O16S2/c1-40(2)34-50(94-67(110)54-21-13-30-98(54)69(112)49(26-33-118-6)92-66(109)53(38-117)96-61(104)46(19-11-28-84-74(78)79)90-60(103)45(18-10-27-83-73(76)77)91-62(105)48-24-25-57(101)88-48)65(108)93-51(36-44-37-82-39-86-44)64(107)87-42(5)59(102)89-47(20-12-29-85-75(80)81)63(106)97-58(41(3)4)71(114)99-31-14-22-55(99)68(111)95-52(35-43-16-8-7-9-17-43)70(113)100-32-15-23-56(100)72(115)116/h7-9,16-17,37,39-42,45-56,58,117H,10-15,18-36,38H2,1-6H3,(H,82,86)(H,87,107)(H,88,101)(H,89,102)(H,90,103)(H,91,105)(H,92,109)(H,93,108)(H,94,110)(H,95,111)(H,96,104)(H,97,106)(H,115,116)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)
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0.140n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172370
PNG
(CHEMBL3809767)
Show SMILES CSCCC(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(C)C)C(C)O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(N)=O)C(=O)NC1CSSCC(NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC1=O)C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C170H286N62O39S4/c1-86(2)70-109(214-136(243)96(36-19-21-55-171)202-132(239)98(38-23-57-192-164(176)177)204-134(241)100(40-25-59-194-166(180)181)207-142(249)106(53-68-272-14)211-158(265)131(92(13)234)228-150(257)112(73-89(7)8)215-148(255)116(78-127(175)237)221-157(264)129(90(9)10)226-156(263)123-47-31-65-230(123)159(266)107(44-29-63-198-170(188)189)212-140(247)104-50-52-128(238)201-104)143(250)208-101(41-26-60-195-167(182)183)135(242)203-97(37-20-22-56-172)137(244)217-114(76-95-80-191-85-200-95)147(254)219-115(77-126(174)236)149(256)225-120-83-275-274-82-119(224-139(246)103(43-28-62-197-169(186)187)205-133(240)99(39-24-58-193-165(178)179)206-141(248)105(49-51-125(173)235)210-144(251)110(71-87(3)4)216-153(120)260)152(259)213-108(54-69-273-15)160(267)229-64-30-45-121(229)154(261)220-111(72-88(5)6)145(252)218-113(75-94-79-190-84-199-94)146(253)209-102(42-27-61-196-168(184)185)138(245)223-118(81-233)151(258)227-130(91(11)12)162(269)231-66-32-46-122(231)155(262)222-117(74-93-34-17-16-18-35-93)161(268)232-67-33-48-124(232)163(270)271/h16-18,34-35,79-80,84-92,96-124,129-131,233-234H,19-33,36-78,81-83,171-172H2,1-15H3,(H2,173,235)(H2,174,236)(H2,175,237)(H,190,199)(H,191,200)(H,201,238)(H,202,239)(H,203,242)(H,204,241)(H,205,240)(H,206,248)(H,207,249)(H,208,250)(H,209,253)(H,210,251)(H,211,265)(H,212,247)(H,213,259)(H,214,243)(H,215,255)(H,216,260)(H,217,244)(H,218,252)(H,219,254)(H,220,261)(H,221,264)(H,222,262)(H,223,245)(H,224,246)(H,225,256)(H,226,263)(H,227,258)(H,228,257)(H,270,271)(H4,176,177,192)(H4,178,179,193)(H4,180,181,194)(H4,182,183,195)(H4,184,185,196)(H4,186,187,197)(H4,188,189,198)
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0.190n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077994
PNG
(CHEMBL3417378)
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](Cc1ccc(C)cc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-5-6-14-47(67(106)93-32-13-20-55(93)66(105)89-51(69(108)109)34-42-23-21-41(4)22-24-42)86-64(103)53-18-11-30-91(53)57(96)37-80-58(97)44(15-7-8-27-72)83-62(101)50(35-43-36-77-39-81-43)88-63(102)52(38-94)90-61(100)49(33-40(2)3)87-59(98)45(16-9-28-78-70(73)74)84-65(104)54-19-12-31-92(54)68(107)48(17-10-29-79-71(75)76)85-60(99)46-25-26-56(95)82-46/h21-24,36,39-40,44-55,94H,5-20,25-35,37-38,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,105)(H,90,100)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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0.200n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172369
PNG
(CHEMBL3810388)
Show SMILES CSCCC(NC(=O)C1CSSCC(N)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C84H136N28O19S3/c1-44(2)35-55-71(120)101-53(25-26-64(86)114)69(118)99-50(19-11-28-94-82(87)88)67(116)98-51(20-12-29-95-83(89)90)68(117)108-60(42-134-133-41-49(85)66(115)103-55)75(124)102-54(27-34-132-7)78(127)110-31-14-22-61(110)76(125)105-56(36-45(3)4)72(121)104-57(38-48-39-93-43-97-48)73(122)107-59(40-113)74(123)100-52(21-13-30-96-84(91)92)70(119)109-65(46(5)6)80(129)111-32-15-23-62(111)77(126)106-58(37-47-17-9-8-10-18-47)79(128)112-33-16-24-63(112)81(130)131/h8-10,17-18,39,43-46,49-63,65,113H,11-16,19-38,40-42,85H2,1-7H3,(H2,86,114)(H,93,97)(H,98,116)(H,99,118)(H,100,123)(H,101,120)(H,102,124)(H,103,115)(H,104,121)(H,105,125)(H,106,126)(H,107,122)(H,108,117)(H,109,119)(H,130,131)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)
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0.230n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172368
PNG
(CHEMBL3809335)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(N)CS)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C84H138N28O19S3/c1-44(2)35-55(103-66(115)49(85)41-132)71(120)101-53(25-26-64(86)114)69(118)99-50(19-11-28-94-82(87)88)67(116)98-51(20-12-29-95-83(89)90)68(117)108-60(42-133)75(124)102-54(27-34-134-7)78(127)110-31-14-22-61(110)76(125)105-56(36-45(3)4)72(121)104-57(38-48-39-93-43-97-48)73(122)107-59(40-113)74(123)100-52(21-13-30-96-84(91)92)70(119)109-65(46(5)6)80(129)111-32-15-23-62(111)77(126)106-58(37-47-17-9-8-10-18-47)79(128)112-33-16-24-63(112)81(130)131/h8-10,17-18,39,43-46,49-63,65,113,132-133H,11-16,19-38,40-42,85H2,1-7H3,(H2,86,114)(H,93,97)(H,98,116)(H,99,118)(H,100,123)(H,101,120)(H,102,124)(H,103,115)(H,104,121)(H,105,125)(H,106,126)(H,107,122)(H,108,117)(H,109,119)(H,130,131)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)
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0.340n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078002
PNG
(CHEMBL3417389)
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@@](C)(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-5-6-19-47(66(106)93-33-16-25-54(93)65(105)90-71(4,68(108)109)36-42-17-8-7-9-18-42)86-63(103)52-23-14-31-91(52)56(96)38-80-57(97)44(20-10-11-28-72)83-61(101)50(35-43-37-77-40-81-43)88-62(102)51(39-94)89-60(100)49(34-41(2)3)87-58(98)45(21-12-29-78-69(73)74)84-64(104)53-24-15-32-92(53)67(107)48(22-13-30-79-70(75)76)85-59(99)46-26-27-55(95)82-46/h7-9,17-18,37,40-41,44-54,94H,5-6,10-16,19-36,38-39,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,100)(H,90,105)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,71-/s2
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0.340n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172371
PNG
(CHEMBL3809818)
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)C1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/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-/s2
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0.370n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172388
PNG
(CHEMBL3809291)
Show SMILES CSCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C75H119N25O18S/c1-40(2)33-49(93-67(112)54-20-12-29-98(54)69(114)48(25-32-119-5)91-66(111)53(38-102)95-60(105)45(18-10-27-84-74(78)79)88-59(104)44(17-9-26-83-73(76)77)89-61(106)47-23-24-57(103)87-47)63(108)92-50(35-43-36-82-39-86-43)64(109)96-52(37-101)65(110)90-46(19-11-28-85-75(80)81)62(107)97-58(41(3)4)71(116)99-30-13-21-55(99)68(113)94-51(34-42-15-7-6-8-16-42)70(115)100-31-14-22-56(100)72(117)118/h6-8,15-16,36,39-41,44-56,58,101-102H,9-14,17-35,37-38H2,1-5H3,(H,82,86)(H,87,103)(H,88,104)(H,89,106)(H,90,110)(H,91,111)(H,92,108)(H,93,112)(H,94,113)(H,95,105)(H,96,109)(H,97,107)(H,117,118)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)
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0.370n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078006
PNG
(CHEMBL3417385)
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](Cc1ccc(cc1)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1/C77H114N22O17/c1-4-5-18-52(73(113)99-36-15-24-60(99)72(112)95-56(75(115)116)38-45-25-27-47(28-26-45)63(103)46-16-7-6-8-17-46)92-70(110)58-22-13-34-97(58)62(102)41-86-64(104)49(19-9-10-31-78)89-68(108)55(39-48-40-83-43-87-48)94-69(109)57(42-100)96-67(107)54(37-44(2)3)93-65(105)50(20-11-32-84-76(79)80)90-71(111)59-23-14-35-98(59)74(114)53(21-12-33-85-77(81)82)91-66(106)51-29-30-61(101)88-51/h6-8,16-17,25-28,40,43-44,49-60,100H,4-5,9-15,18-24,29-39,41-42,78H2,1-3H3,(H,83,87)(H,86,104)(H,88,101)(H,89,108)(H,90,111)(H,91,106)(H,92,110)(H,93,105)(H,94,109)(H,95,112)(H,96,107)(H,115,116)(H4,79,80,84)(H4,81,82,85)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/s2
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0.380n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077995
PNG
(CHEMBL3417377)
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](Cc1ccc(OC)cc1)C(O)=O
Show InChI InChI=1/C71H112N22O17/c1-5-6-14-47(67(106)93-32-13-20-55(93)66(105)89-51(69(108)109)34-41-21-23-43(110-4)24-22-41)86-64(103)53-18-11-30-91(53)57(96)37-80-58(97)44(15-7-8-27-72)83-62(101)50(35-42-36-77-39-81-42)88-63(102)52(38-94)90-61(100)49(33-40(2)3)87-59(98)45(16-9-28-78-70(73)74)84-65(104)54-19-12-31-92(54)68(107)48(17-10-29-79-71(75)76)85-60(99)46-25-26-56(95)82-46/h21-24,36,39-40,44-55,94H,5-20,25-35,37-38,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,105)(H,90,100)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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0.480n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172390
PNG
(CHEMBL3809537)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(C)N)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C73H119N25O16S2/c1-39(2)32-48(91-65(108)53-21-13-28-96(53)67(110)47(24-31-116-6)89-64(107)52(37-115)94-59(102)45(19-11-26-83-72(77)78)87-58(101)44(86-57(100)41(5)74)18-10-25-82-71(75)76)61(104)90-49(34-43-35-81-38-85-43)62(105)93-51(36-99)63(106)88-46(20-12-27-84-73(79)80)60(103)95-56(40(3)4)69(112)97-29-14-22-54(97)66(109)92-50(33-42-16-8-7-9-17-42)68(111)98-30-15-23-55(98)70(113)114/h7-9,16-17,35,38-41,44-56,99,115H,10-15,18-34,36-37,74H2,1-6H3,(H,81,85)(H,86,100)(H,87,101)(H,88,106)(H,89,107)(H,90,104)(H,91,108)(H,92,109)(H,93,105)(H,94,102)(H,95,103)(H,113,114)(H4,75,76,82)(H4,77,78,83)(H4,79,80,84)
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0.530n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078001
PNG
(CHEMBL3417390)
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@](C)(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-5-6-19-47(66(106)93-33-16-25-54(93)65(105)90-71(4,68(108)109)36-42-17-8-7-9-18-42)86-63(103)52-23-14-31-91(52)56(96)38-80-57(97)44(20-10-11-28-72)83-61(101)50(35-43-37-77-40-81-43)88-62(102)51(39-94)89-60(100)49(34-41(2)3)87-58(98)45(21-12-29-78-69(73)74)84-64(104)53-24-15-32-92(53)67(107)48(22-13-30-79-70(75)76)85-59(99)46-26-27-55(95)82-46/h7-9,17-18,37,40-41,44-54,94H,5-6,10-16,19-36,38-39,72H2,1-4H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,100)(H,90,105)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,71+/s2
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0.690n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172375
PNG
(CHEMBL3809149)
Show SMILES CSCCC(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C75H119N25O17S/c1-40(2)34-50(94-67(111)54-21-13-30-98(54)69(113)49(26-33-118-6)92-59(103)42(5)87-60(104)45(18-10-27-83-73(76)77)89-61(105)46(19-11-28-84-74(78)79)90-62(106)48-24-25-57(102)88-48)64(108)93-51(36-44-37-82-39-86-44)65(109)96-53(38-101)66(110)91-47(20-12-29-85-75(80)81)63(107)97-58(41(3)4)71(115)99-31-14-22-55(99)68(112)95-52(35-43-16-8-7-9-17-43)70(114)100-32-15-23-56(100)72(116)117/h7-9,16-17,37,39-42,45-56,58,101H,10-15,18-36,38H2,1-6H3,(H,82,86)(H,87,104)(H,88,102)(H,89,105)(H,90,106)(H,91,110)(H,92,103)(H,93,108)(H,94,111)(H,95,112)(H,96,109)(H,97,107)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)
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0.840n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172366
PNG
(CHEMBL3809739)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C75H119N25O17S2/c1-40(2)33-49(93-67(111)54-20-12-29-98(54)69(113)48(25-32-119-5)91-66(110)53(38-118)96-60(104)45(18-10-27-84-74(78)79)88-59(103)44(17-9-26-83-73(76)77)89-61(105)47-23-24-57(102)87-47)63(107)92-50(35-43-36-82-39-86-43)64(108)95-52(37-101)65(109)90-46(19-11-28-85-75(80)81)62(106)97-58(41(3)4)71(115)99-30-13-21-55(99)68(112)94-51(34-42-15-7-6-8-16-42)70(114)100-31-14-22-56(100)72(116)117/h6-8,15-16,36,39-41,44-56,58,101,118H,9-14,17-35,37-38H2,1-5H3,(H,82,86)(H,87,102)(H,88,103)(H,89,105)(H,90,109)(H,91,110)(H,92,107)(H,93,111)(H,94,112)(H,95,108)(H,96,104)(H,97,106)(H,116,117)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)
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0.930n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
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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1n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077993
PNG
(CHEMBL3417379)
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](Cc1ccncc1)C(O)=O
Show InChI InChI=1/C69H109N23O16/c1-4-5-13-45(65(105)92-31-12-19-53(92)64(104)88-49(67(107)108)33-40-22-27-75-28-23-40)85-62(102)51-17-10-29-90(51)55(95)36-79-56(96)42(14-6-7-24-70)82-60(100)48(34-41-35-76-38-80-41)87-61(101)50(37-93)89-59(99)47(32-39(2)3)86-57(97)43(15-8-25-77-68(71)72)83-63(103)52-18-11-30-91(52)66(106)46(16-9-26-78-69(73)74)84-58(98)44-20-21-54(94)81-44/h22-23,27-28,35,38-39,42-53,93H,4-21,24-26,29-34,36-37,70H2,1-3H3,(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)(H4,71,72,77)(H4,73,74,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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1n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078005
PNG
(CHEMBL3417386)
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](C\C=C\c1ccccc1)C(O)=O
Show InChI InChI=1/C72H112N22O16/c1-4-5-20-48(68(107)94-35-16-27-56(94)67(106)88-50(70(109)110)22-11-19-43-17-7-6-8-18-43)87-65(104)54-25-14-33-92(54)58(97)39-81-59(98)45(21-9-10-30-73)84-63(102)52(37-44-38-78-41-82-44)90-64(103)53(40-95)91-62(101)51(36-42(2)3)89-60(99)46(23-12-31-79-71(74)75)85-66(105)55-26-15-34-93(55)69(108)49(24-13-32-80-72(76)77)86-61(100)47-28-29-57(96)83-47/h6-8,11,17-19,38,41-42,45-56,95H,4-5,9-10,12-16,20-37,39-40,73H2,1-3H3,(H,78,82)(H,81,98)(H,83,96)(H,84,102)(H,85,105)(H,86,100)(H,87,104)(H,88,106)(H,89,99)(H,90,103)(H,91,101)(H,109,110)(H4,74,75,79)(H4,76,77,80)/b19-11+/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/s2
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1.20n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077992
PNG
(CHEMBL3417380)
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](Cc1cccnc1)C(O)=O
Show InChI InChI=1/C69H109N23O16/c1-4-5-15-45(65(105)92-30-13-21-53(92)64(104)88-49(67(107)108)32-40-14-8-25-75-34-40)85-62(102)51-19-11-28-90(51)55(95)36-79-56(96)42(16-6-7-24-70)82-60(100)48(33-41-35-76-38-80-41)87-61(101)50(37-93)89-59(99)47(31-39(2)3)86-57(97)43(17-9-26-77-68(71)72)83-63(103)52-20-12-29-91(52)66(106)46(18-10-27-78-69(73)74)84-58(98)44-22-23-54(94)81-44/h8,14,25,34-35,38-39,42-53,93H,4-7,9-13,15-24,26-33,36-37,70H2,1-3H3,(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)(H4,71,72,77)(H4,73,74,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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1.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078000
PNG
(CHEMBL3414601)
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)NC1(CCc2ccccc12)C(O)=O
Show InChI InChI=1/C71H110N22O16/c1-4-5-17-47(66(106)93-33-14-23-54(93)65(105)90-71(68(108)109)27-26-41-15-6-7-16-43(41)71)86-63(103)52-21-12-31-91(52)56(96)37-80-57(97)44(18-8-9-28-72)83-61(101)50(35-42-36-77-39-81-42)88-62(102)51(38-94)89-60(100)49(34-40(2)3)87-58(98)45(19-10-29-78-69(73)74)84-64(104)53-22-13-32-92(53)67(107)48(20-11-30-79-70(75)76)85-59(99)46-24-25-55(95)82-46/h6-7,15-16,36,39-40,44-54,94H,4-5,8-14,17-35,37-38,72H2,1-3H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,98)(H,88,102)(H,89,100)(H,90,105)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,71?/s2
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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]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
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=1/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-/s2
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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]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078003
PNG
(CHEMBL3417388)
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](Cc1csc2ccccc12)C(O)=O
Show InChI InChI=1/C72H110N22O16S/c1-4-5-16-47(68(107)94-31-14-22-55(94)67(106)90-51(70(109)110)33-41-38-111-56-23-7-6-15-43(41)56)87-65(104)53-20-12-29-92(53)58(97)36-81-59(98)44(17-8-9-26-73)84-63(102)50(34-42-35-78-39-82-42)89-64(103)52(37-95)91-62(101)49(32-40(2)3)88-60(99)45(18-10-27-79-71(74)75)85-66(105)54-21-13-30-93(54)69(108)48(19-11-28-80-72(76)77)86-61(100)46-24-25-57(96)83-46/h6-7,15,23,35,38-40,44-55,95H,4-5,8-14,16-22,24-34,36-37,73H2,1-3H3,(H,78,82)(H,81,98)(H,83,96)(H,84,102)(H,85,105)(H,86,100)(H,87,104)(H,88,99)(H,89,103)(H,90,106)(H,91,101)(H,109,110)(H4,74,75,79)(H4,76,77,80)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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2.20n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172376
PNG
(CHEMBL3810012)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C73H115N25O17S/c1-38(2)31-47(91-65(109)52-20-12-28-96(52)67(111)40(5)85-64(108)51(36-116)94-58(102)44(18-10-26-82-72(76)77)87-57(101)43(17-9-25-81-71(74)75)88-59(103)46-23-24-55(100)86-46)61(105)90-48(33-42-34-80-37-84-42)62(106)93-50(35-99)63(107)89-45(19-11-27-83-73(78)79)60(104)95-56(39(3)4)69(113)97-29-13-21-53(97)66(110)92-49(32-41-15-7-6-8-16-41)68(112)98-30-14-22-54(98)70(114)115/h6-8,15-16,34,37-40,43-54,56,99,116H,9-14,17-33,35-36H2,1-5H3,(H,80,84)(H,85,108)(H,86,100)(H,87,101)(H,88,103)(H,89,107)(H,90,105)(H,91,109)(H,92,110)(H,93,106)(H,94,102)(H,95,104)(H,114,115)(H4,74,75,81)(H4,76,77,82)(H4,78,79,83)/t40-,43-,44-,45-,46?,47-,48-,49-,50-,51-,52-,53-,54-,56-/s2
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3.40n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172377
PNG
(CHEMBL3809538)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C73H117N25O17S2/c1-38(2)31-48(91-57(101)40(5)85-58(102)47(24-30-117-6)90-66(110)52(36-116)95-60(104)44(18-11-26-82-72(76)77)87-59(103)43(17-10-25-81-71(74)75)88-61(105)46-22-23-55(100)86-46)63(107)92-49(33-42-34-80-37-84-42)64(108)94-51(35-99)65(109)89-45(19-12-27-83-73(78)79)62(106)96-56(39(3)4)69(113)97-28-13-20-53(97)67(111)93-50(32-41-15-8-7-9-16-41)68(112)98-29-14-21-54(98)70(114)115/h7-9,15-16,34,37-40,43-54,56,99,116H,10-14,17-33,35-36H2,1-6H3,(H,80,84)(H,85,102)(H,86,100)(H,87,103)(H,88,105)(H,89,109)(H,90,110)(H,91,101)(H,92,107)(H,93,111)(H,94,108)(H,95,104)(H,96,106)(H,114,115)(H4,74,75,81)(H4,76,77,82)(H4,78,79,83)
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4n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078010
PNG
(CHEMBL3417381)
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](Cc1ccccn1)C(O)=O
Show InChI InChI=1/C69H109N23O16/c1-4-5-16-45(65(105)92-31-14-22-53(92)64(104)88-49(67(107)108)33-40-15-7-9-26-76-40)85-62(102)51-20-12-29-90(51)55(95)36-79-56(96)42(17-6-8-25-70)82-60(100)48(34-41-35-75-38-80-41)87-61(101)50(37-93)89-59(99)47(32-39(2)3)86-57(97)43(18-10-27-77-68(71)72)83-63(103)52-21-13-30-91(52)66(106)46(19-11-28-78-69(73)74)84-58(98)44-23-24-54(94)81-44/h7,9,15,26,35,38-39,42-53,93H,4-6,8,10-14,16-25,27-34,36-37,70H2,1-3H3,(H,75,80)(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)(H4,71,72,77)(H4,73,74,78)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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4.90n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078008
PNG
(CHEMBL3417383)
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](CCc1ccccc1)C(O)=O
Show InChI InChI=1/C71H112N22O16/c1-4-5-18-47(67(106)93-34-15-24-55(93)66(105)87-49(69(108)109)26-25-42-16-7-6-8-17-42)86-64(103)53-22-13-32-91(53)57(96)38-80-58(97)44(19-9-10-29-72)83-62(101)51(36-43-37-77-40-81-43)89-63(102)52(39-94)90-61(100)50(35-41(2)3)88-59(98)45(20-11-30-78-70(73)74)84-65(104)54-23-14-33-92(54)68(107)48(21-12-31-79-71(75)76)85-60(99)46-27-28-56(95)82-46/h6-8,16-17,37,40-41,44-55,94H,4-5,9-15,18-36,38-39,72H2,1-3H3,(H,77,81)(H,80,97)(H,82,95)(H,83,101)(H,84,104)(H,85,99)(H,86,103)(H,87,105)(H,88,98)(H,89,102)(H,90,100)(H,108,109)(H4,73,74,78)(H4,75,76,79)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/s2
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5.40n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077997
PNG
(CHEMBL3417375)
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](CC(C)C)C(O)=O
Show InChI InChI=1/C67H112N22O16/c1-6-7-15-43(63(102)89-29-14-21-51(89)62(101)85-47(65(104)105)31-38(4)5)82-60(99)49-19-12-27-87(49)53(92)34-76-54(93)40(16-8-9-24-68)79-58(97)46(32-39-33-73-36-77-39)84-59(98)48(35-90)86-57(96)45(30-37(2)3)83-55(94)41(17-10-25-74-66(69)70)80-61(100)50-20-13-28-88(50)64(103)44(18-11-26-75-67(71)72)81-56(95)42-22-23-52(91)78-42/h33,36-38,40-51,90H,6-32,34-35,68H2,1-5H3,(H,73,77)(H,76,93)(H,78,91)(H,79,97)(H,80,100)(H,81,95)(H,82,99)(H,83,94)(H,84,98)(H,85,101)(H,86,96)(H,104,105)(H4,69,70,74)(H4,71,72,75)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/s2
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6.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172372
PNG
(CHEMBL3809136)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C72H112N22O17S2/c1-38(2)31-47(87-65(105)52-19-12-27-92(52)67(107)46(24-30-113-6)85-64(104)51(36-112)90-57(97)40(5)81-58(98)43(17-10-25-78-71(73)74)83-59(99)45-22-23-55(96)82-45)61(101)86-48(33-42-34-77-37-80-42)62(102)89-50(35-95)63(103)84-44(18-11-26-79-72(75)76)60(100)91-56(39(3)4)69(109)93-28-13-20-53(93)66(106)88-49(32-41-15-8-7-9-16-41)68(108)94-29-14-21-54(94)70(110)111/h7-9,15-16,34,37-40,43-54,56,95,112H,10-14,17-33,35-36H2,1-6H3,(H,77,80)(H,81,98)(H,82,96)(H,83,99)(H,84,103)(H,85,104)(H,86,101)(H,87,105)(H,88,106)(H,89,102)(H,90,97)(H,91,100)(H,110,111)(H4,73,74,78)(H4,75,76,79)
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6.80n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172391
PNG
(CHEMBL3809768)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(C)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C72H112N22O17S2/c1-38(2)31-47(87-65(105)52-19-12-27-92(52)67(107)46(24-30-113-6)85-64(104)51(36-112)90-59(99)43(17-10-25-78-71(73)74)83-57(97)40(5)81-58(98)45-22-23-55(96)82-45)61(101)86-48(33-42-34-77-37-80-42)62(102)89-50(35-95)63(103)84-44(18-11-26-79-72(75)76)60(100)91-56(39(3)4)69(109)93-28-13-20-53(93)66(106)88-49(32-41-15-8-7-9-16-41)68(108)94-29-14-21-54(94)70(110)111/h7-9,15-16,34,37-40,43-54,56,95,112H,10-14,17-33,35-36H2,1-6H3,(H,77,80)(H,81,98)(H,82,96)(H,83,97)(H,84,103)(H,85,104)(H,86,101)(H,87,105)(H,88,106)(H,89,102)(H,90,99)(H,91,100)(H,110,111)(H4,73,74,78)(H4,75,76,79)
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8.40n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077998
PNG
(CHEMBL3414600)
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]([C@@H](C)CC)C(O)=O
Show InChI InChI=1/C67H112N22O16/c1-6-8-16-43(63(102)89-30-15-22-50(89)62(101)86-53(65(104)105)38(5)7-2)82-60(99)48-20-13-28-87(48)52(92)34-76-54(93)40(17-9-10-25-68)79-58(97)46(32-39-33-73-36-77-39)84-59(98)47(35-90)85-57(96)45(31-37(3)4)83-55(94)41(18-11-26-74-66(69)70)80-61(100)49-21-14-29-88(49)64(103)44(19-12-27-75-67(71)72)81-56(95)42-23-24-51(91)78-42/h33,36-38,40-50,53,90H,6-32,34-35,68H2,1-5H3,(H,73,77)(H,76,93)(H,78,91)(H,79,97)(H,80,100)(H,81,95)(H,82,99)(H,83,94)(H,84,98)(H,85,96)(H,86,101)(H,104,105)(H4,69,70,74)(H4,71,72,75)/t38-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-/s2
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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]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078009
PNG
(CHEMBL3417382)
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](C(O)=O)c1ccccc1
Show InChI InChI=1/C69H108N22O16/c1-4-5-18-45(65(104)91-32-15-24-52(91)64(103)88-55(67(106)107)40-16-7-6-8-17-40)84-62(101)50-22-13-30-89(50)54(94)36-78-56(95)42(19-9-10-27-70)81-60(99)48(34-41-35-75-38-79-41)86-61(100)49(37-92)87-59(98)47(33-39(2)3)85-57(96)43(20-11-28-76-68(71)72)82-63(102)51-23-14-31-90(51)66(105)46(21-12-29-77-69(73)74)83-58(97)44-25-26-53(93)80-44/h6-8,16-17,35,38-39,42-52,55,92H,4-5,9-15,18-34,36-37,70H2,1-3H3,(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,87,98)(H,88,103)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,55-/s2
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11n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172363
PNG
(CHEMBL3808736)
Show SMILES CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1/C73H117N25O17S2/c1-38(2)31-48(92-66(110)53-20-13-28-97(53)68(112)47(24-30-117-6)90-65(109)52(36-116)95-58(102)44(18-11-26-82-72(76)77)87-57(101)43(17-10-25-81-71(74)75)88-59(103)46-22-23-55(100)86-46)62(106)91-50(33-42-34-80-37-84-42)63(107)94-51(35-99)64(108)89-45(19-12-27-83-73(78)79)60(104)96-56(39(3)4)69(113)98-29-14-21-54(98)67(111)93-49(32-41-15-8-7-9-16-41)61(105)85-40(5)70(114)115/h7-9,15-16,34,37-40,43-54,56,99,116H,10-14,17-33,35-36H2,1-6H3,(H,80,84)(H,85,105)(H,86,100)(H,87,101)(H,88,103)(H,89,108)(H,90,109)(H,91,106)(H,92,110)(H,93,111)(H,94,107)(H,95,102)(H,96,104)(H,114,115)(H4,74,75,81)(H4,76,77,82)(H4,78,79,83)/t40-,43-,44-,45-,46?,47-,48-,49-,50-,51-,52-,53-,54-,56-/s2
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11n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078004
PNG
(CHEMBL3417387)
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](CC1c2ccccc2Cc2ccccc12)C(O)=O
Show InChI InChI=1/C78H116N22O16/c1-4-5-21-54(74(113)100-35-16-27-62(100)73(112)96-58(76(115)116)39-50-48-19-8-6-17-45(48)37-46-18-7-9-20-49(46)50)93-71(110)60-25-14-33-98(60)64(103)41-87-65(104)51(22-10-11-30-79)90-69(108)57(38-47-40-84-43-88-47)95-70(109)59(42-101)97-68(107)56(36-44(2)3)94-66(105)52(23-12-31-85-77(80)81)91-72(111)61-26-15-34-99(61)75(114)55(24-13-32-86-78(82)83)92-67(106)53-28-29-63(102)89-53/h6-9,17-20,40,43-44,50-62,101H,4-5,10-16,21-39,41-42,79H2,1-3H3,(H,84,88)(H,87,104)(H,89,102)(H,90,108)(H,91,111)(H,92,106)(H,93,110)(H,94,105)(H,95,109)(H,96,112)(H,97,107)(H,115,116)(H4,80,81,85)(H4,82,83,86)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/s2
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11n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172365
PNG
(CHEMBL3809035)
Show SMILES CSCCC(NC(=O)C(N)CS)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C58H90N16O13S2/c1-32(2)25-39(68-52(81)43-16-10-21-72(43)54(83)38(19-24-89-5)66-47(76)36(59)30-88)49(78)67-40(27-35-28-62-31-64-35)50(79)70-42(29-75)51(80)65-37(15-9-20-63-58(60)61)48(77)71-46(33(3)4)56(85)73-22-11-17-44(73)53(82)69-41(26-34-13-7-6-8-14-34)55(84)74-23-12-18-45(74)57(86)87/h6-8,13-14,28,31-33,36-46,75,88H,9-12,15-27,29-30,59H2,1-5H3,(H,62,64)(H,65,80)(H,66,76)(H,67,78)(H,68,81)(H,69,82)(H,70,79)(H,71,77)(H,86,87)(H4,60,61,63)
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14n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50077996
PNG
(CHEMBL3417376)
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](C(C)C)C(O)=O
Show InChI InChI=1/C66H110N22O16/c1-6-7-15-42(62(101)88-29-14-21-49(88)61(100)85-52(37(4)5)64(103)104)81-59(98)47-19-12-27-86(47)51(91)33-75-53(92)39(16-8-9-24-67)78-57(96)45(31-38-32-72-35-76-38)83-58(97)46(34-89)84-56(95)44(30-36(2)3)82-54(93)40(17-10-25-73-65(68)69)79-60(99)48-20-13-28-87(48)63(102)43(18-11-26-74-66(70)71)80-55(94)41-22-23-50(90)77-41/h32,35-37,39-49,52,89H,6-31,33-34,67H2,1-5H3,(H,72,76)(H,75,92)(H,77,90)(H,78,96)(H,79,99)(H,80,94)(H,81,98)(H,82,93)(H,83,97)(H,84,95)(H,85,100)(H,103,104)(H4,68,69,73)(H4,70,71,74)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/s2
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15n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172378
PNG
(CHEMBL3809334)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C72H113N25O17S2/c1-38(2)55(68(112)96-29-12-20-52(96)65(109)91-48(32-40-14-6-5-7-15-40)67(111)97-30-13-21-53(97)69(113)114)94-60(104)44(18-10-27-82-72(77)78)88-62(106)49(35-98)92-61(105)47(33-41-34-79-37-83-41)90-56(100)39(3)84-64(108)51-19-11-28-95(51)66(110)46(24-31-116-4)89-63(107)50(36-115)93-58(102)43(17-9-26-81-71(75)76)86-57(101)42(16-8-25-80-70(73)74)87-59(103)45-22-23-54(99)85-45/h5-7,14-15,34,37-39,42-53,55,98,115H,8-13,16-33,35-36H2,1-4H3,(H,79,83)(H,84,108)(H,85,99)(H,86,101)(H,87,103)(H,88,106)(H,89,107)(H,90,100)(H,91,109)(H,92,105)(H,93,102)(H,94,104)(H,113,114)(H4,73,74,80)(H4,75,76,81)(H4,77,78,82)
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20n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172386
PNG
(CHEMBL3808818)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C73H115N25O17S2/c1-39(2)32-48(92-65(109)54-20-12-29-97(54)68(112)47(24-31-117-4)90-64(108)52(37-116)95-59(103)45(18-10-27-83-73(78)79)87-58(102)44(17-9-26-82-72(76)77)88-60(104)46-22-23-56(100)86-46)61(105)91-49(34-42-35-80-38-84-42)62(106)94-51(36-99)63(107)89-43(16-8-25-81-71(74)75)57(101)85-40(3)67(111)96-28-11-19-53(96)66(110)93-50(33-41-14-6-5-7-15-41)69(113)98-30-13-21-55(98)70(114)115/h5-7,14-15,35,38-40,43-55,99,116H,8-13,16-34,36-37H2,1-4H3,(H,80,84)(H,85,101)(H,86,100)(H,87,102)(H,88,104)(H,89,107)(H,90,108)(H,91,105)(H,92,109)(H,93,110)(H,94,106)(H,95,103)(H,114,115)(H4,74,75,81)(H4,76,77,82)(H4,78,79,83)
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20n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172389
PNG
(CHEMBL3808449)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O
Show InChI InChI=1/C75H120N26O16S2/c1-40(2)33-49(94-68(113)55-21-13-30-100(55)70(115)48(25-32-119-5)92-67(112)53(38-118)97-61(106)45(18-10-27-85-74(79)80)89-60(105)44(17-9-26-84-73(77)78)90-62(107)47-23-24-57(103)88-47)64(109)93-50(35-43-36-83-39-87-43)65(110)96-52(37-102)66(111)91-46(19-11-28-86-75(81)82)63(108)98-58(41(3)4)72(117)101-31-14-22-56(101)69(114)95-51(34-42-15-7-6-8-16-42)71(116)99-29-12-20-54(99)59(76)104/h6-8,15-16,36,39-41,44-56,58,102,118H,9-14,17-35,37-38H2,1-5H3,(H2,76,104)(H,83,87)(H,88,103)(H,89,105)(H,90,107)(H,91,111)(H,92,112)(H,93,109)(H,94,113)(H,95,114)(H,96,110)(H,97,106)(H,98,108)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)
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22n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172382
PNG
(CHEMBL3810194)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C72H117N23O17S2/c1-38(2)34-47(88-64(106)51-21-13-30-93(51)66(108)46(26-33-114-6)87-63(105)50(37-113)91-58(100)43(19-11-28-80-71(75)76)84-57(99)42(18-10-27-79-70(73)74)85-59(101)45-24-25-54(97)83-45)61(103)82-40(5)56(98)90-49(36-96)62(104)86-44(20-12-29-81-72(77)78)60(102)92-55(39(3)4)68(110)94-31-14-22-52(94)65(107)89-48(35-41-16-8-7-9-17-41)67(109)95-32-15-23-53(95)69(111)112/h7-9,16-17,38-40,42-53,55,96,113H,10-15,18-37H2,1-6H3,(H,82,103)(H,83,97)(H,84,99)(H,85,101)(H,86,104)(H,87,105)(H,88,106)(H,89,107)(H,90,98)(H,91,100)(H,92,102)(H,111,112)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)
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35n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50078014
PNG
(CHEMBL3417391)
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](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
Show InChI InChI=1/C61H92N16O13/c1-4-5-17-44(59(87)77-28-13-20-50(77)58(86)74-47(60(88)89)30-38-21-23-41(24-22-38)90-35-39-14-7-6-8-15-39)71-57(85)49-19-12-27-76(49)51(79)33-68-53(81)43(18-9-10-25-62)70-55(83)46(31-40-32-66-36-69-40)73-56(84)48(34-78)75-54(82)45(29-37(2)3)72-52(80)42(63)16-11-26-67-61(64)65/h6-8,14-15,21-24,32,36-37,42-50,78H,4-5,9-13,16-20,25-31,33-35,62-63H2,1-3H3,(H,66,69)(H,68,81)(H,70,83)(H,71,85)(H,72,80)(H,73,84)(H,74,86)(H,75,82)(H,88,89)(H4,64,65,67)/t42-,43-,44-,45-,46-,47-,48-,49-,50-/s2
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46n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr b...


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172361
PNG
(CHEMBL3809707)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(N)=N)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C73H117N25O17S2/c1-38(2)31-48(92-66(110)53-20-13-28-97(53)68(112)47(24-30-117-6)90-65(109)52(36-116)95-59(103)44(18-11-26-82-72(76)77)87-58(102)43(17-10-25-81-71(74)75)88-60(104)46-22-23-55(100)86-46)62(106)91-49(33-42-34-80-37-84-42)63(107)94-51(35-99)64(108)89-45(19-12-27-83-73(78)79)61(105)96-56(39(3)4)67(111)85-40(5)57(101)93-50(32-41-15-8-7-9-16-41)69(113)98-29-14-21-54(98)70(114)115/h7-9,15-16,34,37-40,43-54,56,99,116H,10-14,17-33,35-36H2,1-6H3,(H,80,84)(H,85,111)(H,86,100)(H,87,102)(H,88,104)(H,89,108)(H,90,109)(H,91,106)(H,92,110)(H,93,101)(H,94,107)(H,95,103)(H,96,105)(H,114,115)(H4,74,75,81)(H4,76,77,82)(H4,78,79,83)
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48n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172362
PNG
(CHEMBL3809477)
Show SMILES CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C69H115N25O17S2/c1-35(2)29-44(88-62(106)49-17-10-25-92(49)64(108)43(21-28-113-6)86-60(104)47(33-112)90-54(98)40(14-8-23-78-68(72)73)83-53(97)39(13-7-22-77-67(70)71)84-55(99)42-19-20-51(96)82-42)57(101)87-45(30-38-31-76-34-80-38)58(102)89-46(32-95)59(103)85-41(15-9-24-79-69(74)75)56(100)91-52(36(3)4)65(109)93-26-11-16-48(93)61(105)81-37(5)63(107)94-27-12-18-50(94)66(110)111/h31,34-37,39-50,52,95,112H,7-30,32-33H2,1-6H3,(H,76,80)(H,81,105)(H,82,96)(H,83,97)(H,84,99)(H,85,103)(H,86,104)(H,87,101)(H,88,106)(H,89,102)(H,90,98)(H,91,100)(H,110,111)(H4,70,71,77)(H4,72,73,78)(H4,74,75,79)/t37-,39-,40-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-,52-/s2
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49n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
Apelin


(Homo sapiens)
BDBM50009560
PNG
(CHEMBL3234454)
Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc1csc(=[NH2+])n1C)C(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[n+]1C)C(=O)NC1CC[NH+](C)CC1
Show InChI InChI=1S/C59H77N11O8S3.3C2HF3O2/c1-8-69(9-2)46-24-20-43(21-25-46)56(44-22-26-47(27-23-44)70(10-3)11-4)51-29-28-50(37-54(51)81(76,77)78)80(74,75)61-32-16-15-19-52(63-55(71)36-49-40-79-59(60)67(49)7)57(72)64-53(58(73)62-45-30-33-65(5)34-31-45)35-48-39-68(41-66(48)6)38-42-17-13-12-14-18-42;3*3-2(4,5)1(6)7/h12-14,17-18,20-29,37,39-41,45,52-53,60-61H,8-11,15-16,19,30-36,38H2,1-7H3,(H2-2,62,63,64,71,72,73,76,77,78);3*(H,6,7)/t52-,53-;;;/m0.../s1
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89n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


Citation and Details
More data for this
Ligand-Target Pair
apelin receptor


(Homo sapiens)
BDBM50172385
PNG
(CHEMBL3809972)
Show SMILES CSCCC(NC(=O)C(CS)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1/C72H112N22O17S2/c1-38(2)31-47(87-65(105)52-19-12-27-92(52)67(107)46(24-30-113-6)85-64(104)51(36-112)90-59(99)44(18-11-26-79-72(75)76)83-58(98)43(17-10-25-78-71(73)74)84-60(100)45-22-23-55(96)82-45)61(101)86-48(33-42-34-77-37-80-42)62(102)89-50(35-95)63(103)81-40(5)57(97)91-56(39(3)4)69(109)93-28-13-20-53(93)66(106)88-49(32-41-15-8-7-9-16-41)68(108)94-29-14-21-54(94)70(110)111/h7-9,15-16,34,37-40,43-54,56,95,112H,10-14,17-33,35-36H2,1-6H3,(H,77,80)(H,81,103)(H,82,96)(H,83,98)(H,84,100)(H,85,104)(H,86,101)(H,87,105)(H,88,106)(H,89,102)(H,90,99)(H,91,97)(H,110,111)(H4,73,74,78)(H4,75,76,79)
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164n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting metho...


J Med Chem 59: 2962-72 (2016)

More data for this
Ligand-Target Pair
Apelin


(Homo sapiens)
BDBM50009571
PNG
(CHEMBL3234461)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NCC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C60H77N11O9S3/c1-8-70(9-2)43-20-23-48-53(32-43)80-54-33-44(71(10-3)11-4)21-24-49(54)57(48)50-25-22-47(35-55(50)83(77,78)79)82(75,76)63-28-16-15-19-51(64-56(72)34-46-39-81-60(61)68(46)7)59(74)65-52(58(73)62-36-41-26-29-66(5)30-27-41)31-45-38-69(40-67(45)6)37-42-17-13-12-14-18-42/h12-14,17-18,20-25,32-33,35,38-41,51-52,61,63H,8-11,15-16,19,26-31,34,36-37H2,1-7H3,(H2-2,62,64,65,72,73,74,77,78,79)/p+1/t51-,52-/m0/s1
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180n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Apelin


(Homo sapiens)
BDBM50009572
PNG
(CHEMBL3234462)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=[NH2+])n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C65H79N11O9S3.3C2HF3O2/c1-7-75(8-2)48-24-27-53-58(36-48)85-59-37-49(76(9-3)10-4)25-28-54(59)62(53)55-29-26-52(39-60(55)88(82,83)84)87(80,81)67-32-18-17-23-56(69-61(77)38-51-43-86-65(66)72(51)6)63(78)70-57(35-50-42-74(44-71(50)5)41-46-21-15-12-16-22-46)64(79)68-47-30-33-73(34-31-47)40-45-19-13-11-14-20-45;3*3-2(4,5)1(6)7/h11-16,19-22,24-29,36-37,39,42-44,47,56-57,66-67H,7-10,17-18,23,30-35,38,40-41H2,1-6H3,(H2-2,68,69,70,77,78,79,82,83,84);3*(H,6,7)/t56-,57-;;;/m0.../s1
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270n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Apelin


(Homo sapiens)
BDBM50009558
PNG
(CHEMBL3234452)
Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc3csc(=[NH2+])n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CC[NH+](C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C66H89N13O10S3.3C2HF3O2/c1-8-78(9-2)48-24-27-53-58(38-48)89-59-39-49(79(10-3)11-4)25-28-54(59)62(53)55-29-26-52(41-60(55)92(86,87)88)91(84,85)70-34-19-13-12-18-32-68-66(83)69-33-20-17-23-56(72-61(80)40-51-44-90-65(67)76(51)7)63(81)73-57(64(82)71-47-30-35-74(5)36-31-47)37-50-43-77(45-75(50)6)42-46-21-15-14-16-22-46;3*3-2(4,5)1(6)7/h14-16,21-22,24-29,38-39,41,43-45,47,56-57,67,70H,8-13,17-20,23,30-37,40,42H2,1-7H3,(H4-2,68,69,71,72,73,80,81,82,83,86,87,88);3*(H,6,7)/t56-,57-;;;/m0.../s1
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310n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Apelin


(Homo sapiens)
BDBM50009559
PNG
(CHEMBL3234453)
Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=[NH2+])n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CC[NH+](C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C59H75N11O9S3.3C2HF3O2/c1-8-69(9-2)42-20-23-47-52(32-42)79-53-33-43(70(10-3)11-4)21-24-48(53)56(47)49-25-22-46(35-54(49)82(76,77)78)81(74,75)61-28-16-15-19-50(63-55(71)34-45-38-80-59(60)67(45)7)57(72)64-51(58(73)62-41-26-29-65(5)30-27-41)31-44-37-68(39-66(44)6)36-40-17-13-12-14-18-40;3*3-2(4,5)1(6)7/h12-14,17-18,20-25,32-33,35,37-39,41,50-51,60-61H,8-11,15-16,19,26-31,34,36H2,1-7H3,(H2-2,62,63,64,71,72,73,76,77,78);3*(H,6,7)/t50-,51-;;;/m0.../s1
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400n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [125I]-pE13F from human apelin receptor expressed in CHO cell membranes after 1 hr by gamma counting analysis


Citation and Details
More data for this
Ligand-Target Pair
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