Compile Data Set for Download or QSAR

Found 445 hits with Last Name = 'besserer-offroy'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Apelin receptor (Homo sapiens (Human))	BDBM50078007 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172383 (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=1S/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)/t42-,45-,46-,47?,48?,49-,50-,51-,52-,53?,54-,55-,56-,58-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172387 (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=1S/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)/t45-,46-,47?,48?,49?,50-,51-,52-,53-,54?,55-,56-,57-,59-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172370 (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=1S/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)/t92?,96-,97-,98-,99-,100?,101-,102-,103-,104?,105?,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118?,119-,120-,121-,122-,123-,124-,129-,130-,131-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077994 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583259 (CHEMBL5094438) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCN(C\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)S(=O)(=O)c1ccccc1[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,t:34| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172369 (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=1S/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)/t49?,50-,51-,52?,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,65-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172368 (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=1S/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)/t49?,50-,51-,52?,53-,54-,55-,56-,57-,58-,59-,60?,61-,62-,63-,65-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078002 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172371 (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 |r| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172388 (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=1S/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)/t44-,45-,46?,47?,48-,49-,50-,51-,52-,53?,54-,55-,56-,58-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078006 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077995 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172390 (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=1S/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)/t41-,44+,45+,46?,47+,48+,49+,50+,51+,52?,53+,54+,55+,56+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583266 (CHEMBL5091501) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)C\C=C/C[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc2ccccc12)C(O)=O |r,c:22| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583256 (CHEMBL5087847) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C[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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078001 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172375 (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=1S/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)/t42?,45-,46-,47?,48?,49-,50-,51-,52-,53-,54-,55-,56-,58-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583258 (CHEMBL5078149) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1Cc2cncn2C\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 |r,t:38| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172366 (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=1S/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)/t44-,45-,46?,47-,48-,49-,50-,51-,52-,53?,54-,55-,56-,58-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077993 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50014619 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50048908 (CHEMBL415788) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Displacement of 125I-[Tyr3]-NT from human NTS1 receptor expressed in CHOK1 cell membranes after 30 mins by gamma counting analysis				J Med Chem 60: 3303-3313 (2017) Article DOI: 10.1021/acs.jmedchem.6b01848 BindingDB Entry DOI: 10.7270/Q2377C6V
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078005 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Neurotensin receptor type 1 (Homo sapiens (Human))	BDBM50048908 (CHEMBL415788) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]Tyr3-neurotensin from human NTS1 receptor expressed in CHOK1 cell membranes after 60 mins by gamma counting analysis				J Med Chem 61: 7103-7115 (2018) Article DOI: 10.1021/acs.jmedchem.8b00175 BindingDB Entry DOI: 10.7270/Q2D50QMT
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077992 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078000 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583261 (CHEMBL5092962) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCN(C)C\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 |r,t:35| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583263 (CHEMBL5091081) 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(N)=N)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 |r,c:31| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077999 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078003 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583260 (CHEMBL5072626) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCNC\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 |r,t:34| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50244534 (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 |r,c:31| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172376 (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 |r| Show InChI InChI=1S/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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172377 (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=1S/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)/t40-,43-,44?,45?,46?,47-,48-,49-,50-,51-,52-,53-,54-,56-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583257 (CHEMBL5080649) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCC[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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583262 (CHEMBL5079665) 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](N)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 |r,c:31| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078010 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583268 (CHEMBL5074959) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)C\C=C/C[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r,c:22| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078008 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583267 (CHEMBL5085866) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)C\C=C/C[C@H](NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(O)=O |r,c:22| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077997 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Neurotensin receptor type 2 (Homo sapiens (Human))	BDBM50048908 (CHEMBL415788) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Displacement of 125I-[Tyr3]-NT from human NTS2 receptor expressed in human 1321N1 cell membranes after 30 mins by gamma counting analysis				J Med Chem 60: 3303-3313 (2017) Article DOI: 10.1021/acs.jmedchem.6b01848 BindingDB Entry DOI: 10.7270/Q2377C6V
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172372 (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=1S/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)/t40-,43-,44-,45?,46-,47-,48-,49-,50-,51-,52-,53-,54?,56-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172391 (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=1S/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)/t40-,43-,44?,45?,46-,47-,48-,49-,50-,51?,52-,53-,54-,56-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50583264 (CHEMBL5092604) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCN(C\C=C\C[C@H](N)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)S(=O)(=O)c1ccccc1[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,t:34| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]-[Nle75,Tyr77][Pyr1]-Ape13 from YFP-tagged human APJ expressed in HEK293 cell membranes assessed as inhibition constant incubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01708 BindingDB Entry DOI: 10.7270/Q20R9T9K
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50077998 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50172363 (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 |r| Show InChI InChI=1S/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-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.5b01549 BindingDB Entry DOI: 10.7270/Q23N258H
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078004 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM50078009 (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 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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...				J Med Chem 58: 2431-40 (2015) Article DOI: 10.1021/jm501916k BindingDB Entry DOI: 10.7270/Q21V5GNR
					More data for this Ligand-Target Pair

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