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Compile Data Set for Download or QSAR

Found 280 hits from Bayer Pharmaceuticals Corporation   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197025
PNG
(CHEMBL439904 | PYY(3-36))
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
Reactome pathway
KEGG

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0.400n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222885
PNG
(6-(4-fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)...)
Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3
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0.470n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
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0.860n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222867
PNG
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222875
PNG
(6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidi...)
Show SMILES Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1
Show InChI InChI=1S/C27H26FN3O2/c1-18-5-2-3-7-23(18)26-30-25-13-12-22(33-21-10-8-20(28)9-11-21)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222859
PNG
(6-(4-chlorophenyl)-3-{[(3S)-1-ethylpiperidin-3-yl]...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222873
PNG
(6-(4-chlorophenyl)-3-[(1-isopropylpiperidin-3-yl)m...)
Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32ClN3O/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-12-24(17-27(28)30(34)35)23-10-13-25(31)14-11-23/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3
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1.80n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222884
PNG
(6-(4-chlorophenyl)-3-[(-1-ethylpiperidin-3-yl)meth...)
Show SMILES CCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222863
PNG
(6-(4-chlorophenyl)-3-[(1-cyclobutylpiperidin-3-yl)...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(C1)C1CCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H32ClN3O/c1-21-6-2-3-10-27(21)30-33-29-16-13-24(23-11-14-25(32)15-12-23)18-28(29)31(36)35(30)20-22-7-5-17-34(19-22)26-8-4-9-26/h2-3,6,10-16,18,22,26H,4-5,7-9,17,19-20H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197011
PNG
(CHEMBL238533 | PYY(22-36))
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C84H137N29O21/c1-40(2)30-56(107-79(132)62(38-114)111-68(121)44(9)85)73(126)101-52(15-12-28-97-83(91)92)71(124)109-60(35-48-37-95-39-99-48)76(129)108-59(34-47-19-23-50(117)24-20-47)75(128)105-57(31-41(3)4)74(127)110-61(36-64(87)119)77(130)106-58(32-42(5)6)78(131)112-65(43(7)8)80(133)113-66(45(10)115)81(134)103-53(16-13-29-98-84(93)94)69(122)102-54(25-26-63(86)118)72(125)100-51(14-11-27-96-82(89)90)70(123)104-55(67(88)120)33-46-17-21-49(116)22-18-46/h17-24,37,39-45,51-62,65-66,114-117H,11-16,25-36,38,85H2,1-10H3,(H2,86,118)(H2,87,119)(H2,88,120)(H,95,99)(H,100,125)(H,101,126)(H,102,122)(H,103,134)(H,104,123)(H,105,128)(H,106,130)(H,107,132)(H,108,129)(H,109,124)(H,110,127)(H,111,121)(H,112,131)(H,113,133)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t44-,45+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-/m0/s1
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3n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197010
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-20-24-47(109)25-21-44)102-72(120)58(35-45-37-90-38-94-45)103-68(116)50(15-10-28-91-77(84)85)95-65(113)48-13-8-9-14-49(48)80)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(17-12-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(16-11-29-92-78(86)87)67(115)99-54(64(83)112)33-43-18-22-46(108)23-19-43/h8-9,13-14,18-25,37-42,50-59,62-63,107-109H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
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4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222879
PNG
(6-(4-chlorophenyl)-3-{[1-(2-methoxyethyl)piperidin...)
Show SMILES COCCN1CCCC(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32ClN3O2/c1-21-6-3-4-8-26(21)29-32-28-14-11-24(23-9-12-25(31)13-10-23)18-27(28)30(35)34(29)20-22-7-5-15-33(19-22)16-17-36-2/h3-4,6,8-14,18,22H,5,7,15-17,19-20H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197010
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-20-24-47(109)25-21-44)102-72(120)58(35-45-37-90-38-94-45)103-68(116)50(15-10-28-91-77(84)85)95-65(113)48-13-8-9-14-49(48)80)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(17-12-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(16-11-29-92-78(86)87)67(115)99-54(64(83)112)33-43-18-22-46(108)23-19-43/h8-9,13-14,18-25,37-42,50-59,62-63,107-109H,10-12,15-17,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
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4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY2


J Med Chem 50: 2264-8 (2007)


Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222858
PNG
(6-(4-fluorophenoxy)-2-isopropyl-3-[(1-isopropylpip...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C(C)C)C1
Show InChI InChI=1S/C26H32FN3O2/c1-17(2)25-28-24-12-11-22(32-21-9-7-20(27)8-10-21)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197019
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C79H121N27O18/c1-39(2)30-55(100-71(119)57(33-44-19-23-49(109)24-20-44)102-72(120)58(35-47-37-90-38-94-47)103-68(116)50(14-9-27-91-77(84)85)95-65(113)45-12-8-13-46(80)34-45)70(118)104-59(36-61(82)111)73(121)101-56(31-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(16-11-29-93-79(88)89)66(114)97-53(25-26-60(81)110)69(117)96-51(15-10-28-92-78(86)87)67(115)99-54(64(83)112)32-43-17-21-48(108)22-18-43/h8,12-13,17-24,34,37-42,50-59,62-63,107-109H,9-11,14-16,25-33,35-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
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4n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197023
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Show SMILES COc1cc(ccc1N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C80H123N27O19/c1-39(2)30-55(101-72(120)57(33-44-17-22-48(110)23-18-44)103-73(121)58(35-46-37-91-38-95-46)104-69(117)50(12-9-27-92-78(85)86)96-66(114)45-19-24-49(81)60(34-45)126-8)71(119)105-59(36-62(83)112)74(122)102-56(31-40(3)4)75(123)106-63(41(5)6)76(124)107-64(42(7)108)77(125)99-52(14-11-29-94-80(89)90)67(115)98-53(25-26-61(82)111)70(118)97-51(13-10-28-93-79(87)88)68(116)100-54(65(84)113)32-43-15-20-47(109)21-16-43/h15-24,34,37-42,50-59,63-64,108-110H,9-14,25-33,35-36,81H2,1-8H3,(H2,82,111)(H2,83,112)(H2,84,113)(H,91,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,120)(H,102,122)(H,103,121)(H,104,117)(H,105,119)(H,106,123)(H,107,124)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,63+,64+/m1/s1
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5n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50205093
PNG
(CHEMBL428017 | LRHYLNLLTRQRY-NH2)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C81H131N27O19/c1-40(2)30-56(96-45(10)110)71(120)98-52(15-12-28-93-80(87)88)69(118)106-61(36-48-38-91-39-95-48)75(124)105-60(35-47-19-23-50(112)24-20-47)74(123)102-58(32-42(5)6)73(122)107-62(37-64(83)114)76(125)103-57(31-41(3)4)72(121)104-59(33-43(7)8)77(126)108-65(44(9)109)78(127)100-53(16-13-29-94-81(89)90)67(116)99-54(25-26-63(82)113)70(119)97-51(14-11-27-92-79(85)86)68(117)101-55(66(84)115)34-46-17-21-49(111)22-18-46/h17-24,38-44,51-62,65,109,111-112H,11-16,25-37H2,1-10H3,(H2,82,113)(H2,83,114)(H2,84,115)(H,91,95)(H,96,110)(H,97,119)(H,98,120)(H,99,116)(H,100,127)(H,101,117)(H,102,123)(H,103,125)(H,104,121)(H,105,124)(H,106,118)(H,107,122)(H,108,126)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t44-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+/m1/s1
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5n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY2 receptor in KAN-TS cells by SPA assay


Bioorg Med Chem Lett 17: 1916-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.045
BindingDB Entry DOI: 10.7270/Q2WW7HB0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197009
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C79H120ClN27O18/c1-38(2)29-55(101-71(120)57(32-43-16-21-47(110)22-17-43)103-72(121)58(34-45-36-91-37-95-45)104-68(117)50(11-8-26-92-77(85)86)96-65(114)48-23-18-44(81)33-49(48)80)70(119)105-59(35-61(83)112)73(122)102-56(30-39(3)4)74(123)106-62(40(5)6)75(124)107-63(41(7)108)76(125)99-52(13-10-28-94-79(89)90)66(115)98-53(24-25-60(82)111)69(118)97-51(12-9-27-93-78(87)88)67(116)100-54(64(84)113)31-42-14-19-46(109)20-15-42/h14-23,33,36-41,50-59,62-63,108-110H,8-13,24-32,34-35,81H2,1-7H3,(H2,82,111)(H2,83,112)(H2,84,113)(H,91,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,120)(H,102,122)(H,103,121)(H,104,117)(H,105,119)(H,106,123)(H,107,124)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t41-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
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6n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197021
PNG
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C79H120N26O18/c1-40(2)32-55(99-71(118)57(35-45-21-25-49(108)26-22-45)101-72(119)58(36-47-38-89-39-93-47)102-68(115)50(16-11-29-90-77(83)84)94-65(112)46-14-9-8-10-15-46)70(117)103-59(37-61(81)110)73(120)100-56(33-41(3)4)74(121)104-62(42(5)6)75(122)105-63(43(7)106)76(123)97-52(18-13-31-92-79(87)88)66(113)96-53(27-28-60(80)109)69(116)95-51(17-12-30-91-78(85)86)67(114)98-54(64(82)111)34-44-19-23-48(107)24-20-44/h8-10,14-15,19-26,38-43,50-59,62-63,106-108H,11-13,16-18,27-37H2,1-7H3,(H2,80,109)(H2,81,110)(H2,82,111)(H,89,93)(H,94,112)(H,95,116)(H,96,113)(H,97,123)(H,98,114)(H,99,118)(H,100,120)(H,101,119)(H,102,115)(H,103,117)(H,104,121)(H,105,122)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t43-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
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6n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197020
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C79H121N27O18/c1-39(2)31-55(100-71(119)57(34-44-16-24-49(109)25-17-44)102-72(120)58(35-47-37-90-38-94-47)103-68(116)50(11-8-28-91-77(84)85)95-65(113)45-18-20-46(80)21-19-45)70(118)104-59(36-61(82)111)73(121)101-56(32-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(13-10-30-93-79(88)89)66(114)97-53(26-27-60(81)110)69(117)96-51(12-9-29-92-78(86)87)67(115)99-54(64(83)112)33-43-14-22-48(108)23-15-43/h14-25,37-42,50-59,62-63,107-109H,8-13,26-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
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6n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197022
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)c(C)c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C80H123N27O18/c1-39(2)30-56(101-72(120)58(34-45-17-22-49(110)23-18-45)103-73(121)59(35-47-37-91-38-95-47)104-69(117)51(12-9-27-92-78(85)86)96-66(114)46-19-24-50(81)42(7)32-46)71(119)105-60(36-62(83)112)74(122)102-57(31-40(3)4)75(123)106-63(41(5)6)76(124)107-64(43(8)108)77(125)99-53(14-11-29-94-80(89)90)67(115)98-54(25-26-61(82)111)70(118)97-52(13-10-28-93-79(87)88)68(116)100-55(65(84)113)33-44-15-20-48(109)21-16-44/h15-24,32,37-41,43,51-60,63-64,108-110H,9-14,25-31,33-36,81H2,1-8H3,(H2,82,111)(H2,83,112)(H2,84,113)(H,91,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,120)(H,102,122)(H,103,121)(H,104,117)(H,105,119)(H,106,123)(H,107,124)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+,64+/m1/s1
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6n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222862
PNG
(6-(4-chlorophenyl)-2-(2-methylphenyl)-3-(piperidin...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCNC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN3O/c1-18-5-2-3-7-23(18)26-30-25-13-10-21(20-8-11-22(28)12-9-20)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3
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7n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50205095
PNG
((S)-2-((S)-2-((2S,3R)-2-((S)-2-((S)-2-((S)-2-((S)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C84H136N28O20S/c1-41(2)30-57(108-80(131)64(39-133)99-46(10)114)73(124)101-53(15-12-28-96-83(90)91)71(122)110-62(36-49-38-94-40-98-49)77(128)109-61(35-48-19-23-51(116)24-20-48)76(127)105-59(32-43(5)6)75(126)111-63(37-66(86)118)78(129)106-58(31-42(3)4)74(125)107-60(33-44(7)8)79(130)112-67(45(9)113)81(132)103-54(16-13-29-97-84(92)93)69(120)102-55(25-26-65(85)117)72(123)100-52(14-11-27-95-82(88)89)70(121)104-56(68(87)119)34-47-17-21-50(115)22-18-47/h17-24,38,40-45,52-64,67,113,115-116,133H,11-16,25-37,39H2,1-10H3,(H2,85,117)(H2,86,118)(H2,87,119)(H,94,98)(H,99,114)(H,100,123)(H,101,124)(H,102,120)(H,103,132)(H,104,121)(H,105,127)(H,106,129)(H,107,125)(H,108,131)(H,109,128)(H,110,122)(H,111,126)(H,112,130)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t45-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,67+/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY2 receptor in KAN-TS cells by SPA assay


Bioorg Med Chem Lett 17: 1916-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.045
BindingDB Entry DOI: 10.7270/Q2WW7HB0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50091668
PNG
(AcPYY(22-36) | CHEMBL269267 | N-alpha-Ac-PYY(22-36...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C86H139N29O22/c1-41(2)31-58(109-81(135)64(39-116)113-70(124)45(9)101-47(11)118)75(129)103-54(16-13-29-98-85(92)93)73(127)111-62(36-50-38-96-40-100-50)78(132)110-61(35-49-20-24-52(120)25-21-49)77(131)107-59(32-42(3)4)76(130)112-63(37-66(88)122)79(133)108-60(33-43(5)6)80(134)114-67(44(7)8)82(136)115-68(46(10)117)83(137)105-55(17-14-30-99-86(94)95)71(125)104-56(26-27-65(87)121)74(128)102-53(15-12-28-97-84(90)91)72(126)106-57(69(89)123)34-48-18-22-51(119)23-19-48/h18-25,38,40-46,53-64,67-68,116-117,119-120H,12-17,26-37,39H2,1-11H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,100)(H,101,118)(H,102,128)(H,103,129)(H,104,125)(H,105,137)(H,106,126)(H,107,131)(H,108,133)(H,109,135)(H,110,132)(H,111,127)(H,112,130)(H,113,124)(H,114,134)(H,115,136)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t45-,46+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1
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9n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50210327
PNG
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Show SMILES CSc1ncccc1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C80H123N27O18S/c1-40(2)31-55(70(119)103-57(33-42(5)6)75(124)107-63(43(7)108)76(125)99-52(16-12-30-94-80(88)89)66(115)98-53(25-26-61(81)111)69(118)97-51(15-11-29-93-79(86)87)67(116)100-54(64(83)113)34-44-17-21-47(109)22-18-44)102-74(123)60(37-62(82)112)106-71(120)56(32-41(3)4)101-72(121)58(35-45-19-23-48(110)24-20-45)104-73(122)59(36-46-38-90-39-95-46)105-68(117)50(14-10-28-92-78(84)85)96-65(114)49-13-9-27-91-77(49)126-8/h9,13,17-24,27,38-43,50-60,63,108-110H,10-12,14-16,25-26,28-37H2,1-8H3,(H2,81,111)(H2,82,112)(H2,83,113)(H,90,95)(H,96,114)(H,97,118)(H,98,115)(H,99,125)(H,100,116)(H,101,121)(H,102,123)(H,103,119)(H,104,122)(H,105,117)(H,106,120)(H,107,124)(H4,84,85,92)(H4,86,87,93)(H4,88,89,94)/t43-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,63+/m1/s1
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11n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from human NPY2


J Med Chem 50: 2264-8 (2007)


Article DOI: 10.1021/jm061454v
BindingDB Entry DOI: 10.7270/Q2JS9Q3Z
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222887
PNG
((S)-6-(4-chlorophenyl)-3-((1-ethylpiperidin-3-yl)m...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccc(cc2)C(F)(F)F)C1
Show InChI InChI=1S/C29H27ClF3N3O/c1-2-35-15-3-4-19(17-35)18-36-27(21-5-10-23(11-6-21)29(31,32)33)34-26-14-9-22(16-25(26)28(36)37)20-7-12-24(30)13-8-20/h5-14,16,19H,2-4,15,17-18H2,1H3/t19-/m0/s1
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16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222853
PNG
(6-(4-chlorophenyl)-3-{[1-(2-fluoroethyl)piperidin-...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2c(=O)n1CC1CCCN(CCF)C1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClFN3O/c1-20-5-2-3-7-25(20)28-32-27-13-10-23(22-8-11-24(30)12-9-22)17-26(27)29(35)34(28)19-21-6-4-15-33(18-21)16-14-31/h2-3,5,7-13,17,21H,4,6,14-16,18-19H2,1H3
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16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222881
PNG
((S)-3-((1-ethylpiperidin-3-yl)methyl)-2-o-tolyl-6-...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222869
PNG
(6-(4-fluorophenoxy)-3-{[(3S)-1-isopropylpiperidin-...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C24H28FN3O2/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1
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17n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222854
PNG
(6-(4-luorophenoxy)-3-{[(3S)-1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1
Show InChI InChI=1S/C23H26FN3O2/c1-16(2)26-11-3-4-17(13-26)14-27-15-25-22-10-9-20(12-21(22)23(27)28)29-19-7-5-18(24)6-8-19/h5-10,12,15-17H,3-4,11,13-14H2,1-2H3/t17-/m0/s1
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18n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197017
PNG
((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C81H123N27O18/c1-40(2)31-56(102-72(120)58(34-45-20-24-49(111)25-21-45)104-74(122)60(36-47-38-91-39-95-47)105-69(117)52(16-11-29-93-80(87)88)98-73(121)59-35-46-13-8-9-14-50(46)96-59)71(119)106-61(37-63(83)113)75(123)103-57(32-41(3)4)76(124)107-64(42(5)6)77(125)108-65(43(7)109)78(126)100-53(17-12-30-94-81(89)90)67(115)99-54(26-27-62(82)112)70(118)97-51(15-10-28-92-79(85)86)68(116)101-55(66(84)114)33-44-18-22-48(110)23-19-44/h8-9,13-14,18-25,38-43,51-61,64-65,96,109-111H,10-12,15-17,26-37H2,1-7H3,(H2,82,112)(H2,83,113)(H2,84,114)(H,91,95)(H,97,118)(H,98,121)(H,99,115)(H,100,126)(H,101,116)(H,102,120)(H,103,123)(H,104,122)(H,105,117)(H,106,119)(H,107,124)(H,108,125)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,51+,52+,53+,54+,55+,56+,57+,58+,59?,60+,61+,64+,65+/m1/s1
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18n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50197025
PNG
(CHEMBL439904 | PYY(3-36))
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
KEGG

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



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from NPY5 receptor expressed in human HEK293 cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50371160
PNG
(CHEMBL243429)
Show SMILES CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCN(CC)C3)c(=O)c2c1
Show InChI InChI=1S/C28H38N4O2/c1-5-7-16-30(3)22-14-15-25-24(18-22)28(33)32(20-21-11-10-17-31(6-2)19-21)27(29-25)23-12-8-9-13-26(23)34-4/h8-9,12-15,18,21H,5-7,10-11,16-17,19-20H2,1-4H3
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20n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50197025
PNG
(CHEMBL439904 | PYY(3-36))
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
PDB

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21n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from NPY1 receptor expressed in human SK-N-MC cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222868
PNG
(3-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylpheny...)
Show SMILES CCN1CCCC(Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222876
PNG
(6-(4-chlorophenyl)-3-[(1-ethyl-1,2,5,6-tetrahydrop...)
Show SMILES CCN1CCC=C(Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H28ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7-15,17H,3,6,16,18-19H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197013
PNG
(AcPYY(25-36) | CHEMBL392889)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C74H118N26O18/c1-36(2)28-51(94-66(113)53(31-42-17-21-45(104)22-18-42)96-67(114)54(32-43-34-84-35-88-43)97-61(108)46(89-40(8)102)12-9-25-85-72(78)79)65(112)98-55(33-57(76)106)68(115)95-52(29-37(3)4)69(116)99-58(38(5)6)70(117)100-59(39(7)101)71(118)92-48(14-11-27-87-74(82)83)62(109)91-49(23-24-56(75)105)64(111)90-47(13-10-26-86-73(80)81)63(110)93-50(60(77)107)30-41-15-19-44(103)20-16-41/h15-22,34-39,46-55,58-59,101,103-104H,9-14,23-33H2,1-8H3,(H2,75,105)(H2,76,106)(H2,77,107)(H,84,88)(H,89,102)(H,90,111)(H,91,109)(H,92,118)(H,93,110)(H,94,113)(H,95,115)(H,96,114)(H,97,108)(H,98,112)(H,99,116)(H,100,117)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t39-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,58+,59+/m1/s1
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30n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50371159
PNG
(CHEMBL390274)
Show SMILES CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1
Show InChI InChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3
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36n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222865
PNG
(6-(4-fluorophenyl)-2-isopropyl-3-[(1-isopropylpipe...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(F)cc2)C(C)C)C1
Show InChI InChI=1S/C26H32FN3O/c1-17(2)25-28-24-12-9-21(20-7-10-22(27)11-8-20)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
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39n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222883
PNG
((S)-3-((1-ethylpiperidin-3-yl)methyl)-6-(4-fluorop...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(F)cc2)C(C)C)C1
Show InChI InChI=1S/C25H30FN3O/c1-4-28-13-5-6-18(15-28)16-29-24(17(2)3)27-23-12-9-20(14-22(23)25(29)30)19-7-10-21(26)11-8-19/h7-12,14,17-18H,4-6,13,15-16H2,1-3H3/t18-/m0/s1
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40n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222861
PNG
(6-(4-chlorophenyl)-2-isopropyl-3-{[(3S)-1-isopropy...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)C(C)C)C1
Show InChI InChI=1S/C26H32ClN3O/c1-17(2)25-28-24-12-9-21(20-7-10-22(27)11-8-20)14-23(24)26(31)30(25)16-19-6-5-13-29(15-19)18(3)4/h7-12,14,17-19H,5-6,13,15-16H2,1-4H3/t19-/m0/s1
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45n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222870
PNG
((R)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m1/s1
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47n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222888
PNG
(6-(4-chlorophenyl)-3-{[(3R)-1-ethylpiperidin-3-yl]...)
Show SMILES CCN1CCC[C@@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m1/s1
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71n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197014
PNG
(AcNPY(25-36) | CHEMBL411793)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C76H119N27O18/c1-6-40(4)61-73(121)97-52(68(116)93-49(14-10-30-89-75(82)83)64(112)96-51(24-26-58(77)107)67(115)94-50(15-11-31-90-76(84)85)65(113)98-53(62(79)110)33-42-16-20-45(105)21-17-42)25-27-60(109)87-28-8-7-12-48(66(114)102-57(36-59(78)108)71(119)99-54(32-39(2)3)72(120)103-61)95-69(117)55(34-43-18-22-46(106)23-19-43)100-70(118)56(35-44-37-86-38-91-44)101-63(111)47(92-41(5)104)13-9-29-88-74(80)81/h16-23,37-40,47-57,61,105-106H,6-15,24-36H2,1-5H3,(H2,77,107)(H2,78,108)(H2,79,110)(H,86,91)(H,87,109)(H,92,104)(H,93,116)(H,94,115)(H,95,117)(H,96,112)(H,97,121)(H,98,113)(H,99,119)(H,100,118)(H,101,111)(H,102,114)(H,103,120)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)/t40-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,61+/m1/s1
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75n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222874
PNG
((R)-3-((1-ethylpiperidin-3-yl)methyl)-2-o-tolyl-6-...)
Show SMILES CCN1CCC[C@@H](Cn2c(nc3ccc(OC(F)(F)F)cc3c2=O)-c2ccccc2C)C1
Show InChI InChI=1S/C24H26F3N3O2/c1-3-29-12-6-8-17(14-29)15-30-22(19-9-5-4-7-16(19)2)28-21-11-10-18(32-24(25,26)27)13-20(21)23(30)31/h4-5,7,9-11,13,17H,3,6,8,12,14-15H2,1-2H3/t17-/m1/s1
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95n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197012
PNG
(9H-fluoren-9-ylmethyl N-[(1S)-4-carbamimidamido-1-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C87H126N26O19/c1-44(2)35-63(106-78(125)65(38-49-24-28-52(116)29-25-49)108-79(126)66(39-50-41-97-43-101-50)109-75(122)60(21-14-34-100-86(95)96)111-87(131)132-42-57-55-17-10-8-15-53(55)54-16-9-11-18-56(54)57)77(124)110-67(40-69(89)118)80(127)107-64(36-45(3)4)81(128)112-70(46(5)6)82(129)113-71(47(7)114)83(130)104-59(20-13-33-99-85(93)94)73(120)103-61(30-31-68(88)117)76(123)102-58(19-12-32-98-84(91)92)74(121)105-62(72(90)119)37-48-22-26-51(115)27-23-48/h8-11,15-18,22-29,41,43-47,57-67,70-71,114-116H,12-14,19-21,30-40,42H2,1-7H3,(H2,88,117)(H2,89,118)(H2,90,119)(H,97,101)(H,102,123)(H,103,120)(H,104,130)(H,105,121)(H,106,125)(H,107,127)(H,108,126)(H,109,122)(H,110,124)(H,111,131)(H,112,128)(H,113,129)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t47-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,70+,71+/m1/s1
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95n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Ghrelin receptor


(Ovis aries)
BDBM50222856
PNG
(6-(4-chlorophenyl)-3-{[(3S)-1-isopropylpiperidin-3...)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)C1
Show InChI InChI=1S/C24H28ClN3O/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-8-20(13-22(23)24(28)29)19-6-9-21(25)10-7-19/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1
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110n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50197016
PNG
((2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C1CCCC(N)C1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C79H127N27O18/c1-39(2)30-55(100-71(119)57(33-44-19-23-49(109)24-20-44)102-72(120)58(35-47-37-90-38-94-47)103-68(116)50(14-9-27-91-77(84)85)95-65(113)45-12-8-13-46(80)34-45)70(118)104-59(36-61(82)111)73(121)101-56(31-40(3)4)74(122)105-62(41(5)6)75(123)106-63(42(7)107)76(124)98-52(16-11-29-93-79(88)89)66(114)97-53(25-26-60(81)110)69(117)96-51(15-10-28-92-78(86)87)67(115)99-54(64(83)112)32-43-17-21-48(108)22-18-43/h17-24,37-42,45-46,50-59,62-63,107-109H,8-16,25-36,80H2,1-7H3,(H2,81,110)(H2,82,111)(H2,83,112)(H,90,94)(H,95,113)(H,96,117)(H,97,114)(H,98,124)(H,99,115)(H,100,119)(H,101,121)(H,102,120)(H,103,116)(H,104,118)(H,105,122)(H,106,123)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t42-,45?,46?,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+,63+/m1/s1
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110n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50091668
PNG
(AcPYY(22-36) | CHEMBL269267 | N-alpha-Ac-PYY(22-36...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C86H139N29O22/c1-41(2)31-58(109-81(135)64(39-116)113-70(124)45(9)101-47(11)118)75(129)103-54(16-13-29-98-85(92)93)73(127)111-62(36-50-38-96-40-100-50)78(132)110-61(35-49-20-24-52(120)25-21-49)77(131)107-59(32-42(3)4)76(130)112-63(37-66(88)122)79(133)108-60(33-43(5)6)80(134)114-67(44(7)8)82(136)115-68(46(10)117)83(137)105-55(17-14-30-99-86(94)95)71(125)104-56(26-27-65(87)121)74(128)102-53(15-12-28-97-84(90)91)72(126)106-57(69(89)123)34-48-18-22-51(119)23-19-48/h18-25,38,40-46,53-64,67-68,116-117,119-120H,12-17,26-37,39H2,1-11H3,(H2,87,121)(H2,88,122)(H2,89,123)(H,96,100)(H,101,118)(H,102,128)(H,103,129)(H,104,125)(H,105,137)(H,106,126)(H,107,131)(H,108,133)(H,109,135)(H,110,132)(H,111,127)(H,112,130)(H,113,124)(H,114,134)(H,115,136)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t45-,46+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1
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118n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from NPY1 receptor expressed in human SK-N-MC cells


Bioorg Med Chem Lett 17: 538-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50222859
PNG
(6-(4-chlorophenyl)-3-{[(3S)-1-ethylpiperidin-3-yl]...)
Show SMILES CCN1CCC[C@H](Cn2c(nc3ccc(cc3c2=O)-c2ccc(Cl)cc2)-c2ccccc2C)C1
Show InChI InChI=1S/C29H30ClN3O/c1-3-32-16-6-8-21(18-32)19-33-28(25-9-5-4-7-20(25)2)31-27-15-12-23(17-26(27)29(33)34)22-10-13-24(30)14-11-22/h4-5,7,9-15,17,21H,3,6,8,16,18-19H2,1-2H3/t21-/m0/s1
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120n/an/an/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Displacement of [125I]DIO from 5HT2c receptor


J Med Chem 50: 5202-16 (2007)


Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2
More data for this
Ligand-Target Pair
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