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Compile Data Set for Download or QSAR

Found 1879 hits with Last Name = 'king' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180775
PNG
(CHEMBL386763 | FV-Aib-TDVGPFAF | [Aib29,Asp31,Pro3...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C59H81N11O15/c1-32(2)46(67-52(78)41(30-45(73)74)64-55(81)48(35(6)71)68-58(85)59(7,8)69-56(82)47(33(3)4)66-50(76)39(60)27-36-19-12-9-13-20-36)54(80)61-31-44(72)70-26-18-25-43(70)53(79)63-40(28-37-21-14-10-15-22-37)51(77)62-34(5)49(75)65-42(57(83)84)29-38-23-16-11-17-24-38/h9-17,19-24,32-35,39-43,46-48,71H,18,25-31,60H2,1-8H3,(H,61,80)(H,62,77)(H,63,79)(H,64,81)(H,65,75)(H,66,76)(H,67,78)(H,68,85)(H,69,82)(H,73,74)(H,83,84)/t34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
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PubMed
0.00200n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180778
PNG
(CHEMBL2371891 | FV-Hyp-TDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O16/c1-32(2)48(57(83)62-30-46(74)70-24-16-23-44(70)55(81)64-41(26-37-19-12-8-13-20-37)53(79)63-34(5)51(77)66-43(60(86)87)27-38-21-14-9-15-22-38)67-54(80)42(29-47(75)76)65-58(84)50(35(6)72)69-56(82)45-28-39(73)31-71(45)59(85)49(33(3)4)68-52(78)40(61)25-36-17-10-7-11-18-36/h7-15,17-22,32-35,39-45,48-50,72-73H,16,23-31,61H2,1-6H3,(H,62,83)(H,63,79)(H,64,81)(H,65,84)(H,66,77)(H,67,80)(H,68,78)(H,69,82)(H,75,76)(H,86,87)/t34-,35+,39+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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KEGG
PC cid
PC sid
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Article
PubMed
0.00600n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180781
PNG
(CHEMBL2371890 | FV-Tic-TDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C65H83N11O15/c1-36(2)53(62(87)67-34-51(78)75-28-18-27-49(75)60(85)69-46(30-41-21-12-8-13-22-41)58(83)68-38(5)56(81)71-48(65(90)91)31-42-23-14-9-15-24-42)72-59(84)47(33-52(79)80)70-63(88)55(39(6)77)74-61(86)50-32-43-25-16-17-26-44(43)35-76(50)64(89)54(37(3)4)73-57(82)45(66)29-40-19-10-7-11-20-40/h7-17,19-26,36-39,45-50,53-55,77H,18,27-35,66H2,1-6H3,(H,67,87)(H,68,83)(H,69,85)(H,70,88)(H,71,81)(H,72,84)(H,73,82)(H,74,86)(H,79,80)(H,90,91)/t38-,39+,45-,46-,47-,48-,49-,50-,53-,54-,55-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
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PubMed
0.0200n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50062162
PNG
(CHEMBL264010 | FVPTDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O15/c1-33(2)48(67-54(79)42(31-47(74)75)65-58(83)50(36(6)72)69-56(81)45-25-17-27-71(45)59(84)49(34(3)4)68-52(77)40(61)28-37-18-10-7-11-19-37)57(82)62-32-46(73)70-26-16-24-44(70)55(80)64-41(29-38-20-12-8-13-21-38)53(78)63-35(5)51(76)66-43(60(85)86)30-39-22-14-9-15-23-39/h7-15,18-23,33-36,40-45,48-50,72H,16-17,24-32,61H2,1-6H3,(H,62,82)(H,63,78)(H,64,80)(H,65,83)(H,66,76)(H,67,79)(H,68,77)(H,69,81)(H,74,75)(H,85,86)/t35-,36+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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PubMed
0.0200n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM85681
PNG
(PYY 3-36)
Show InChI InChI=1S/C175H271N51O56/c1-84(2)67-113(154(262)200-103(26-18-60-189-172(180)181)146(254)215-120(75-98-78-188-83-194-98)159(267)214-119(73-96-37-45-101(233)46-38-96)157(265)209-114(68-85(3)4)155(263)216-121(76-130(179)236)160(268)210-116(70-87(7)8)161(269)222-138(88(9)10)167(275)223-139(93(15)230)168(276)206-106(29-21-63-192-175(186)187)144(252)202-108(49-54-129(178)235)149(257)199-105(28-20-62-191-174(184)185)147(255)218-123(171(279)280)74-97-39-47-102(234)48-40-97)211-163(271)124(80-227)219-141(249)90(12)195-152(260)117(71-94-33-41-99(231)42-34-94)213-158(266)118(72-95-35-43-100(232)44-36-95)212-145(253)104(27-19-61-190-173(182)183)201-162(270)125(81-228)220-156(264)115(69-86(5)6)208-151(259)110(52-57-135(242)243)203-150(258)111(53-58-136(244)245)205-166(274)128-32-24-66-226(128)282(281)132(82-229)221-142(250)91(13)196-153(261)122(77-137(246)247)217-148(256)107(50-55-133(238)239)198-131(237)79-193-164(272)126-30-22-64-224(126)169(277)92(14)197-143(251)109(51-56-134(240)241)204-165(273)127-31-23-65-225(127)170(278)112(25-16-17-59-176)207-140(248)89(11)177/h33-48,78,83-93,103-128,132,138-139,227-234H,16-32,49-77,79-82,176-177H2,1-15H3,(H2,178,235)(H2,179,236)(H,188,194)(H,193,272)(H,195,260)(H,196,261)(H,197,251)(H,198,237)(H,199,257)(H,200,262)(H,201,270)(H,202,252)(H,203,258)(H,204,273)(H,205,274)(H,206,276)(H,207,248)(H,208,259)(H,209,265)(H,210,268)(H,211,271)(H,212,253)(H,213,266)(H,214,267)(H,215,254)(H,216,263)(H,217,256)(H,218,255)(H,219,249)(H,220,264)(H,221,250)(H,222,269)(H,223,275)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,132+,138-,139-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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KEGG
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UniChem
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0.0300n/an/an/an/an/an/an/an/a



Federal Institute of Technology of Zurich

Curated by PDSP Ki Database




J Biol Chem 275: 36043-8 (2000)


Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM82421
PNG
(CAS_81858-94-8 | PYY, porcine)
Show InChI InChI=1S/C189H287N53O59/c1-92(2)74-124(166(279)215-114(27-18-66-203-186(194)195)158(271)230-131(83-107-86-202-91-208-107)171(284)229-130(81-105-41-51-111(250)52-42-105)169(282)224-125(75-93(3)4)167(280)231-132(84-142(193)253)172(285)225-127(77-95(7)8)173(286)237-150(96(9)10)180(293)238-151(101(15)246)181(294)221-117(30-21-69-206-189(200)201)156(269)217-119(55-60-141(192)252)161(274)214-116(29-20-68-205-188(198)199)159(272)233-134(185(298)299)82-106-43-53-112(251)54-44-106)226-175(288)135(88-243)234-153(266)97(11)209-164(277)128(79-103-37-47-109(248)48-38-103)228-170(283)129(80-104-39-49-110(249)50-40-104)227-157(270)115(28-19-67-204-187(196)197)216-174(287)136(89-244)235-168(281)126(76-94(5)6)223-163(276)121(58-63-147(259)260)218-162(275)122(59-64-148(261)262)220-179(292)140-34-25-73-242(140)301(300)144(90-245)236-154(267)99(13)210-165(278)133(85-149(263)264)232-160(273)118(56-61-145(255)256)213-143(254)87-207-176(289)137-31-22-70-239(137)182(295)100(14)212-155(268)120(57-62-146(257)258)219-178(291)139-33-24-72-241(139)184(297)123(26-16-17-65-190)222-152(265)98(12)211-177(290)138-32-23-71-240(138)183(296)113(191)78-102-35-45-108(247)46-36-102/h35-54,86,91-101,113-140,144,150-151,243-251H,16-34,55-85,87-90,190-191H2,1-15H3,(H2,192,252)(H2,193,253)(H,202,208)(H,207,289)(H,209,277)(H,210,278)(H,211,290)(H,212,268)(H,213,254)(H,214,274)(H,215,279)(H,216,287)(H,217,269)(H,218,275)(H,219,291)(H,220,292)(H,221,294)(H,222,265)(H,223,276)(H,224,282)(H,225,285)(H,226,288)(H,227,270)(H,228,283)(H,229,284)(H,230,271)(H,231,280)(H,232,273)(H,233,272)(H,234,266)(H,235,281)(H,236,267)(H,237,286)(H,238,293)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,298,299)(H4,194,195,203)(H4,196,197,204)(H4,198,199,205)(H4,200,201,206)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,144+,150-,151-/m0/s1
UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.0320n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
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UniChem
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PubMed
0.0400n/an/an/an/an/an/an/an/a



Federal Institute of Technology of Zurich

Curated by PDSP Ki Database




J Biol Chem 275: 36043-8 (2000)


Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM85679
PNG
(CAS_59763-91-6 | PP, human)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C184H285N53O54S2/c1-20-91(10)143(174(285)227-124(83-136(189)247)163(274)213-113(62-73-293-19)157(268)220-119(76-89(6)7)166(277)231-144(97(16)238)175(286)217-114(33-24-66-202-184(197)198)177(288)235-69-27-36-130(235)169(280)214-109(32-23-65-201-183(195)196)153(264)218-116(146(190)257)77-99-39-47-103(240)48-40-99)230-167(278)121(79-101-43-51-105(242)52-44-101)223-154(265)108(31-22-64-200-182(193)194)210-152(263)107(30-21-63-199-181(191)192)211-160(271)117(74-87(2)3)221-165(276)126(85-141(255)256)219-149(260)94(13)204-147(258)93(12)206-158(269)120(78-100-41-49-104(241)50-42-100)222-155(266)110(55-58-133(186)244)209-148(259)95(14)205-151(262)112(61-72-292-18)212-162(273)123(82-135(188)246)224-156(267)111(56-59-138(249)250)215-170(281)131-37-29-71-237(131)180(291)145(98(17)239)232-150(261)96(15)207-159(270)122(81-134(187)245)225-164(275)125(84-140(253)254)208-137(248)86-203-168(279)128-34-25-68-234(128)179(290)127(80-102-45-53-106(243)54-46-102)228-173(284)142(90(8)9)229-172(283)132-38-28-70-236(132)178(289)115(57-60-139(251)252)216-161(272)118(75-88(4)5)226-171(282)129-35-26-67-233(129)176(287)92(11)185/h39-54,87-98,107-132,142-145,238-243H,20-38,55-86,185H2,1-19H3,(H2,186,244)(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,257)(H,203,279)(H,204,258)(H,205,262)(H,206,269)(H,207,270)(H,208,248)(H,209,259)(H,210,263)(H,211,271)(H,212,273)(H,213,274)(H,214,280)(H,215,281)(H,216,272)(H,217,286)(H,218,264)(H,219,260)(H,220,268)(H,221,276)(H,222,266)(H,223,265)(H,224,267)(H,225,275)(H,226,282)(H,227,285)(H,228,284)(H,229,283)(H,230,278)(H,231,277)(H,232,261)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/p+2/t91?,92?,93-,94-,95-,96-,97+,98?,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-,132-,142-,143-,144-,145-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Federal Institute of Technology of Zurich

Curated by PDSP Ki Database




J Biol Chem 275: 36043-8 (2000)


Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 4


(Homo sapiens (Human))
BDBM50240829
PNG
(CHEMBL3559801)
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0.0631n/an/an/an/an/an/an/an/a



Leipzig University

Curated by ChEMBL




J Med Chem 60: 7605-7612 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM50005530
PNG
(CHEMBL267633 | D-Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-G...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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 |r|
Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-/m0/s1
UniProtKB/SwissProt

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0.0920n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50246648
PNG
((R)-1-((5-(4-hydroxybenzylamino)-4-(2,2-diphenylac...)
Show SMILES CCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8|
Show InChI InChI=1S/C30H36N6O4/c1-2-32-30(40)36-29(31)33-19-9-14-25(27(38)34-20-21-15-17-24(37)18-16-21)35-28(39)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-26,37H,2,9,14,19-20H2,1H3,(H,34,38)(H,35,39)(H4,31,32,33,36,40)/t25-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cells


J Med Chem 51: 8168-72 (2008)


Article DOI: 10.1021/jm801018u
BindingDB Entry DOI: 10.7270/Q2WM1D8T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50246649
PNG
((R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-d...)
Show SMILES CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12|
Show InChI InChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cells


J Med Chem 51: 8168-72 (2008)


Article DOI: 10.1021/jm801018u
BindingDB Entry DOI: 10.7270/Q2WM1D8T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038677
PNG
((4-Bromo-benzyl)-[2-(5-methoxy-1H-indol-3-yl)-ethy...)
Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C18H19BrN2O/c1-22-16-6-7-18-17(10-16)14(12-21-18)8-9-20-11-13-2-4-15(19)5-3-13/h2-7,10,12,20-21H,8-9,11H2,1H3
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0.100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM85375
PNG
(NPY8-20, Ahx)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)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](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/C135H208N40O36/c1-11-71(8)108(129(208)168-96(62-104(140)185)120(199)163-91(55-69(4)5)122(201)171-107(70(6)7)128(207)173-109(73(10)178)130(209)159-86(25-19-51-152-135(146)147)113(192)158-87(45-46-102(138)183)116(195)156-84(23-17-49-150-133(142)143)114(193)161-89(110(141)189)57-75-31-39-80(180)40-32-75)172-123(202)93(59-77-35-43-82(182)44-36-77)164-119(198)94(60-78-64-148-67-153-78)165-115(194)85(24-18-50-151-134(144)145)157-117(196)90(54-68(2)3)162-111(190)72(9)154-124(203)98(65-176)169-118(197)92(58-76-33-41-81(181)42-34-76)155-105(186)28-13-12-16-48-149-112(191)95(61-103(139)184)166-121(200)97(63-106(187)188)167-126(205)101-27-21-53-175(101)132(211)88(22-14-15-47-136)160-125(204)99(66-177)170-127(206)100-26-20-52-174(100)131(210)83(137)56-74-29-37-79(179)38-30-74/h29-44,64,67-73,83-101,107-109,176-182H,11-28,45-63,65-66,136-137H2,1-10H3,(H2,138,183)(H2,139,184)(H2,140,185)(H2,141,189)(H,148,153)(H,149,191)(H,154,203)(H,155,186)(H,156,195)(H,157,196)(H,158,192)(H,159,209)(H,160,204)(H,161,193)(H,162,190)(H,163,199)(H,164,198)(H,165,194)(H,166,200)(H,167,205)(H,168,208)(H,169,197)(H,170,206)(H,171,201)(H,172,202)(H,173,207)(H,187,188)(H4,142,143,150)(H4,144,145,151)(H4,146,147,152)/t71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-,109-/m0/s1
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0.117n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM82281
PNG
(NPY22-36, porcine | NPY22-36, rat, human)
Show SMILES CC[C@H](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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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 |wU:86.89,85.86,61.62,8.17,103.104,20.28,41.47,123.124,54.56,wD:77.78,69.70,4.4,92.93,30.39,112.113,78.80,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,6.01,;54.68,3.34,;56.22,3.34,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
Show InChI InChI=1S/C85H139N29O21/c1-11-43(7)65(112-79(132)60(35-48-21-25-51(118)26-22-48)109-76(129)61(36-49-38-96-40-100-49)110-73(126)54(17-14-30-98-84(92)93)103-75(128)58(32-41(3)4)107-69(122)45(9)101-70(123)52(86)39-115)80(133)111-62(37-64(88)120)77(130)108-59(33-42(5)6)78(131)113-66(44(8)12-2)81(134)114-67(46(10)116)82(135)105-55(18-15-31-99-85(94)95)71(124)104-56(27-28-63(87)119)74(127)102-53(16-13-29-97-83(90)91)72(125)106-57(68(89)121)34-47-19-23-50(117)24-20-47/h19-26,38,40-46,52-62,65-67,115-118H,11-18,27-37,39,86H2,1-10H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,100)(H,101,123)(H,102,127)(H,103,128)(H,104,124)(H,105,135)(H,106,125)(H,107,122)(H,108,130)(H,109,129)(H,110,126)(H,111,133)(H,112,132)(H,113,131)(H,114,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1
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0.136n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50202406
PNG
((+)-(1R,2R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]h...)
Show SMILES N[C@]1(CS(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+,14?/m1/s1
PDB

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0.170n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from human recombinant mGluR3 in RGT cells


J Med Chem 50: 233-40 (2007)


Article DOI: 10.1021/jm060917u
BindingDB Entry DOI: 10.7270/Q21Z442N
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM85377
PNG
(NPY5-24, Ahx)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)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](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/C101H160N32O24/c1-8-55(6)81(96(155)128-74(49-78(105)140)90(149)125-71(44-53(2)3)91(150)130-80(54(4)5)95(154)132-82(56(7)135)97(156)123-68(21-16-42-117-101(111)112)86(145)122-69(36-37-77(104)139)88(147)121-67(20-15-41-116-100(109)110)87(146)124-70(83(106)142)46-58-26-32-62(137)33-27-58)131-92(151)72(47-59-28-34-63(138)35-29-59)126-89(148)73(48-60-50-113-52-118-60)127-85(144)66(19-14-40-115-99(107)108)119-79(141)23-10-9-13-39-114-84(143)65(18-11-12-38-102)120-93(152)75(51-134)129-94(153)76-22-17-43-133(76)98(157)64(103)45-57-24-30-61(136)31-25-57/h24-35,50,52-56,64-76,80-82,134-138H,8-23,36-49,51,102-103H2,1-7H3,(H2,104,139)(H2,105,140)(H2,106,142)(H,113,118)(H,114,143)(H,119,141)(H,120,152)(H,121,147)(H,122,145)(H,123,156)(H,124,146)(H,125,149)(H,126,148)(H,127,144)(H,128,155)(H,129,153)(H,130,150)(H,131,151)(H,132,154)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t55-,56+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,80-,81-,82-/m0/s1
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0.181n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM82282
PNG
(NPY13-36 | NPY13-36, porcine)
Show SMILES CC[C@H](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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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 |wU:163.169,100.108,162.166,138.142,8.17,180.184,20.28,41.47,200.204,54.58,130.133,125.129,95.99,wD:116.125,108.116,154.158,146.150,84.95,4.4,169.173,72.84,30.39,189.193,60.71,155.160,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;61.61,4.68,;60.84,3.34,;59.3,3.34,;61.61,2.01,;63.15,2.01,;63.92,.68,;65.46,.68,;66.23,-.66,;67.77,-.66,;68.54,-1.99,;68.54,.68,;60.84,.68,;61.61,-.66,;63.15,-.66,;60.84,-1.99,;59.3,-1.99,;61.61,-3.32,;60.84,-4.66,;59.3,-4.66,;61.61,-5.99,;60.84,-7.33,;59.3,-7.33,;58.53,-8.66,;58.53,-5.99,;63.15,-5.99,;63.92,-7.33,;63.15,-8.66,;65.46,-7.33,;66.23,-5.99,;67.77,-5.99,;68.54,-4.66,;68.54,-7.33,;66.23,-8.66,;65.46,-9.99,;63.92,-9.99,;66.23,-11.33,;67.77,-11.33,;68.54,-12.66,;70.08,-12.66,;70.85,-13.99,;70.85,-11.33,;65.46,-12.66,;66.23,-13.99,;67.77,-13.99,;65.46,-15.33,;63.92,-15.33,;66.23,-16.66,;65.46,-18,;63.92,-18,;66.23,-19.33,;65.6,-20.74,;66.75,-21.77,;68.08,-21,;67.76,-19.49,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
Show InChI InChI=1S/C135H209N41O36/c1-15-68(9)105(129(210)172-98(60-102(137)184)124(205)166-93(54-67(7)8)126(207)175-106(69(10)16-2)130(211)176-107(73(14)178)131(212)162-87(26-21-51-152-135(145)146)113(194)161-88(43-45-101(136)183)117(198)159-85(24-19-49-150-133(141)142)114(195)163-90(108(138)189)55-74-27-35-79(179)36-28-74)174-127(208)96(58-77-33-41-82(182)42-34-77)169-123(204)97(59-78-62-147-64-153-78)170-116(197)86(25-20-50-151-134(143)144)160-120(201)92(53-66(5)6)164-111(192)72(13)156-128(209)100(63-177)173-122(203)95(57-76-31-39-81(181)40-32-76)168-121(202)94(56-75-29-37-80(180)38-30-75)167-115(196)84(23-18-48-149-132(139)140)157-109(190)71(12)155-119(200)91(52-65(3)4)165-125(206)99(61-104(187)188)171-118(199)89(44-46-103(185)186)158-110(191)70(11)154-112(193)83-22-17-47-148-83/h27-42,62,64-73,83-100,105-107,148,177-182H,15-26,43-61,63H2,1-14H3,(H2,136,183)(H2,137,184)(H2,138,189)(H,147,153)(H,154,193)(H,155,200)(H,156,209)(H,157,190)(H,158,191)(H,159,198)(H,160,201)(H,161,194)(H,162,212)(H,163,195)(H,164,192)(H,165,206)(H,166,205)(H,167,196)(H,168,202)(H,169,204)(H,170,197)(H,171,199)(H,172,210)(H,173,203)(H,174,208)(H,175,207)(H,176,211)(H,185,186)(H,187,188)(H4,139,140,149)(H4,141,142,150)(H4,143,144,151)(H4,145,146,152)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1
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0.201n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1
Reactome pathway
KEGG

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0.230n/an/an/an/an/an/an/an/a



Federal Institute of Technology of Zurich

Curated by PDSP Ki Database




J Biol Chem 275: 36043-8 (2000)


Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM85680
PNG
(PP [cPP(1-7), NPY(19-23), Ala31, Aib32, Gln34], hu...)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#7](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C182H280N58O54S2/c1-15-89(4)140(170(288)226-122(81-135(188)254)161(279)218-115(63-74-296-14)149(267)209-93(8)147(265)234-182(11,12)175(293)230-109(28-19-67-203-179(196)197)153(271)215-111(54-58-131(184)250)154(272)212-108(27-18-66-202-178(194)195)151(269)221-117(143(189)261)76-96-34-44-101(245)45-35-96)233-181(294)240(85-100-42-52-105(249)53-43-100)235-165(283)110(29-20-68-204-180(198)199)214-150(268)107(26-17-65-201-177(192)193)213-158(276)118(75-88(2)3)222-145(263)91(6)208-163(281)125(86-241)228-160(278)120(78-98-38-48-103(247)49-39-98)224-159(277)119(77-97-36-46-102(246)47-37-97)223-152(270)106(25-16-64-200-176(190)191)211-144(262)90(5)206-148(266)114(62-73-295-13)217-155(273)112(55-59-132(185)251)216-156(274)113(57-61-138(257)258)219-168(286)129-32-24-72-239(129)174(292)142(95(10)244)232-146(264)92(7)207-157(275)121(80-134(187)253)225-162(280)123(82-139(259)260)210-136(255)84-205-166(284)127-30-22-70-237(127)173(291)124(79-99-40-50-104(248)51-41-99)227-171(289)141(94(9)243)231-169(287)130-33-23-71-238(130)172(290)116(56-60-133(186)252)220-164(282)126(87-242)229-167(285)128-31-21-69-236(128)137(256)83-183/h34-53,88-95,106-130,140-142,241-249H,15-33,54-87,183H2,1-14H3,(H2,184,250)(H2,185,251)(H2,186,252)(H2,187,253)(H2,188,254)(H2,189,261)(H,205,284)(H,206,266)(H,207,275)(H,208,281)(H,209,267)(H,210,255)(H,211,262)(H,212,272)(H,213,276)(H,214,268)(H,215,271)(H,216,274)(H,217,273)(H,218,279)(H,219,286)(H,220,282)(H,221,269)(H,222,263)(H,223,270)(H,224,277)(H,225,280)(H,226,288)(H,227,289)(H,228,278)(H,229,285)(H,230,293)(H,231,287)(H,232,264)(H,233,294)(H,234,265)(H,235,283)(H,257,258)(H,259,260)(H4,190,191,200)(H4,192,193,201)(H4,194,195,202)(H4,196,197,203)(H4,198,199,204)/p+1/t89?,90-,91-,92-,93-,94?,95?,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-,140-,141-,142-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
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Article
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0.240n/an/an/an/an/an/an/an/a



Federal Institute of Technology of Zurich

Curated by PDSP Ki Database




J Biol Chem 275: 36043-8 (2000)


Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038672
PNG
(Benzyl-[2-(4-bromo-2,5-dimethoxy-phenyl)-ethyl]-am...)
Show SMILES COc1cc(CCNCc2ccccc2)c(OC)cc1Br
Show InChI InChI=1S/C17H20BrNO2/c1-20-16-11-15(18)17(21-2)10-14(16)8-9-19-12-13-6-4-3-5-7-13/h3-7,10-11,19H,8-9,12H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038665
PNG
(CHEMBL57939 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...)
Show SMILES COc1cc(CCNCc2ccc(I)cc2)c(OC)cc1Br
Show InChI InChI=1S/C17H19BrINO2/c1-21-16-10-15(18)17(22-2)9-13(16)7-8-20-11-12-3-5-14(19)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038675
PNG
((4-Bromo-benzyl)-[2-(4-bromo-2,5-dimethoxy-phenyl)...)
Show SMILES COc1cc(CCNCc2ccc(Br)cc2)c(OC)cc1Br
Show InChI InChI=1S/C17H19Br2NO2/c1-21-16-10-15(19)17(22-2)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50005530
PNG
(CHEMBL267633 | D-Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-G...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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 |r|
Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cells


J Med Chem 51: 8168-72 (2008)


Article DOI: 10.1021/jm801018u
BindingDB Entry DOI: 10.7270/Q2WM1D8T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50015490
PNG
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)
Show InChI InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1
KEGG

UniProtKB/SwissProt

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0.600n/an/an/an/an/an/an/an/a



Federal Institute of Technology of Zurich

Curated by PDSP Ki Database




J Biol Chem 275: 36043-8 (2000)


Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180777
PNG
(CHEMBL427759 | FV((1R,2R,3R)-beta-aminocyclopropan...)
Show SMILES COC(=O)[C@H]1[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(C)C)[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C61H81N11O17/c1-31(2)47(57(83)63-30-43(74)72-25-17-24-42(72)55(81)65-39(27-36-20-13-9-14-21-36)53(79)64-33(5)51(77)67-41(60(86)87)28-37-22-15-10-16-23-37)69-54(80)40(29-44(75)76)66-59(85)49(34(6)73)70-56(82)45-46(61(88)89-7)50(45)71-58(84)48(32(3)4)68-52(78)38(62)26-35-18-11-8-12-19-35/h8-16,18-23,31-34,38-42,45-50,73H,17,24-30,62H2,1-7H3,(H,63,83)(H,64,79)(H,65,81)(H,66,85)(H,67,77)(H,68,78)(H,69,80)(H,70,82)(H,71,84)(H,75,76)(H,86,87)/t33-,34+,38-,39-,40-,41-,42-,45+,46+,47-,48-,49-,50+/m0/s1
PDB

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0.700n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50366689
PNG
(GHRELIN)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)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](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)|
Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7 cells incubated for 75 mins by scintillation counting based assay


J Med Chem 55: 7437-49 (2012)


Article DOI: 10.1021/jm300414b
BindingDB Entry DOI: 10.7270/Q26M37Z8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM85677
PNG
(NPY [hPP(1-17), Ala31,Aib32], human)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C188H290N56O53S/c1-20-94(10)146(177(292)233-129(86-140(193)255)168(283)226-121(76-90(2)3)161(276)214-99(15)152(267)240-188(17,18)182(297)236-115(34-25-70-209-187(203)204)158(273)220-116(59-62-137(190)252)159(274)218-113(32-23-68-207-185(199)200)155(270)224-120(148(194)263)79-101-39-49-106(247)50-40-101)238-170(285)126(82-104-45-55-109(250)56-46-104)228-157(272)114(33-24-69-208-186(201)202)217-154(269)112(31-22-67-206-184(197)198)219-163(278)122(77-91(4)5)225-150(265)97(13)213-171(286)132(89-245)235-166(281)125(81-103-43-53-108(249)54-44-103)229-165(280)124(80-102-41-51-107(248)52-42-102)227-156(271)111(30-21-66-205-183(195)196)216-149(264)96(12)211-153(268)118(65-75-298-19)221-167(282)128(85-139(192)254)230-160(275)117(60-63-142(257)258)222-173(288)135-37-29-74-244(135)181(296)147(100(16)246)239-151(266)98(14)212-162(277)127(84-138(191)253)231-169(284)130(87-144(261)262)215-141(256)88-210-172(287)133-35-26-72-242(133)180(295)131(83-105-47-57-110(251)58-48-105)234-176(291)145(93(8)9)237-175(290)136-38-28-73-243(136)179(294)119(61-64-143(259)260)223-164(279)123(78-92(6)7)232-174(289)134-36-27-71-241(134)178(293)95(11)189/h39-58,90-100,111-136,145-147,245-251H,20-38,59-89,189H2,1-19H3,(H2,190,252)(H2,191,253)(H2,192,254)(H2,193,255)(H2,194,263)(H,210,287)(H,211,268)(H,212,277)(H,213,286)(H,214,276)(H,215,256)(H,216,264)(H,217,269)(H,218,274)(H,219,278)(H,220,273)(H,221,282)(H,222,288)(H,223,279)(H,224,270)(H,225,265)(H,226,283)(H,227,271)(H,228,272)(H,229,280)(H,230,275)(H,231,284)(H,232,289)(H,233,292)(H,234,291)(H,235,281)(H,236,297)(H,237,290)(H,238,285)(H,239,266)(H,240,267)(H,257,258)(H,259,260)(H,261,262)(H4,195,196,205)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/p+2/t94?,95?,96-,97-,98-,99-,100?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,145-,146-,147-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



Federal Institute of Technology of Zurich

Curated by PDSP Ki Database




J Biol Chem 275: 36043-8 (2000)


Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50246646
PNG
((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...)
Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7|
Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cells


J Med Chem 51: 8168-72 (2008)


Article DOI: 10.1021/jm801018u
BindingDB Entry DOI: 10.7270/Q2WM1D8T
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50246646
PNG
((R)-Nalpha-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl...)
Show SMILES CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7|
Show InChI InChI=1S/C30H35N5O4/c1-2-26(37)35-30(31)32-19-9-14-25(28(38)33-20-21-15-17-24(36)18-16-21)34-29(39)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25,27,36H,2,9,14,19-20H2,1H3,(H,33,38)(H,34,39)(H3,31,32,35,37)/t25-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to neuropeptide Y1 receptor in human MCF7 cells


J Med Chem 51: 8168-72 (2008)


Article DOI: 10.1021/jm801018u
BindingDB Entry DOI: 10.7270/Q2WM1D8T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117137
PNG
(CHEMBL3613124)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2cscn2)c1C#N
Show InChI InChI=1S/C18H13N5OS2/c1-24-13-4-2-11(3-5-13)16-14(6-19)17(21)23-18(15(16)7-20)26-9-12-8-25-10-22-12/h2-5,8,10H,9H2,1H3,(H2,21,23)
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1.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM85679
PNG
(CAS_59763-91-6 | PP, human)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C184H285N53O54S2/c1-20-91(10)143(174(285)227-124(83-136(189)247)163(274)213-113(62-73-293-19)157(268)220-119(76-89(6)7)166(277)231-144(97(16)238)175(286)217-114(33-24-66-202-184(197)198)177(288)235-69-27-36-130(235)169(280)214-109(32-23-65-201-183(195)196)153(264)218-116(146(190)257)77-99-39-47-103(240)48-40-99)230-167(278)121(79-101-43-51-105(242)52-44-101)223-154(265)108(31-22-64-200-182(193)194)210-152(263)107(30-21-63-199-181(191)192)211-160(271)117(74-87(2)3)221-165(276)126(85-141(255)256)219-149(260)94(13)204-147(258)93(12)206-158(269)120(78-100-41-49-104(241)50-42-100)222-155(266)110(55-58-133(186)244)209-148(259)95(14)205-151(262)112(61-72-292-18)212-162(273)123(82-135(188)246)224-156(267)111(56-59-138(249)250)215-170(281)131-37-29-71-237(131)180(291)145(98(17)239)232-150(261)96(15)207-159(270)122(81-134(187)245)225-164(275)125(84-140(253)254)208-137(248)86-203-168(279)128-34-25-68-234(128)179(290)127(80-102-45-53-106(243)54-46-102)228-173(284)142(90(8)9)229-172(283)132-38-28-70-236(132)178(289)115(57-60-139(251)252)216-161(272)118(75-88(4)5)226-171(282)129-35-26-67-233(129)176(287)92(11)185/h39-54,87-98,107-132,142-145,238-243H,20-38,55-86,185H2,1-19H3,(H2,186,244)(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,257)(H,203,279)(H,204,258)(H,205,262)(H,206,269)(H,207,270)(H,208,248)(H,209,259)(H,210,263)(H,211,271)(H,212,273)(H,213,274)(H,214,280)(H,215,281)(H,216,272)(H,217,286)(H,218,264)(H,219,260)(H,220,268)(H,221,276)(H,222,266)(H,223,265)(H,224,267)(H,225,275)(H,226,282)(H,227,285)(H,228,284)(H,229,283)(H,230,278)(H,231,277)(H,232,261)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/p+2/t91?,92?,93-,94-,95-,96-,97+,98?,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-,132-,142-,143-,144-,145-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Federal Institute of Technology of Zurich

Curated by PDSP Ki Database




J Biol Chem 275: 36043-8 (2000)


Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003646
PNG
(CHEMBL3235279)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N
Show InChI InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)
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1.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060728
PNG
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cells


J Med Chem 51: 8168-72 (2008)


Article DOI: 10.1021/jm801018u
BindingDB Entry DOI: 10.7270/Q2WM1D8T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117143
PNG
(CHEMBL3613120)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(Cl)cc2)c(C#N)c(-c2ccc(O)cc2)c1C#N
Show InChI InChI=1S/C23H14ClN5OS2/c24-15-5-1-14(2-6-15)22-28-16(11-31-22)12-32-23-19(10-26)20(18(9-25)21(27)29-23)13-3-7-17(30)8-4-13/h1-8,11,30H,12H2,(H2,27,29)
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1.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038675
PNG
((4-Bromo-benzyl)-[2-(4-bromo-2,5-dimethoxy-phenyl)...)
Show SMILES COc1cc(CCNCc2ccc(Br)cc2)c(OC)cc1Br
Show InChI InChI=1S/C17H19Br2NO2/c1-21-16-10-15(19)17(22-2)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]-ketanserin.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180776
PNG
(CHEMBL2371892 | FVPTDVG-Tic-FAF-Tic)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C75H92N12O16/c1-42(2)62(82-68(95)55(38-61(90)91)80-72(99)64(45(6)88)84-69(96)57-31-20-32-85(57)74(101)63(43(3)4)83-66(93)53(76)33-46-21-10-7-11-22-46)71(98)77-39-60(89)86-40-51-29-18-16-27-49(51)36-58(86)70(97)79-54(34-47-23-12-8-13-24-47)67(94)78-44(5)65(92)81-56(35-48-25-14-9-15-26-48)73(100)87-41-52-30-19-17-28-50(52)37-59(87)75(102)103/h7-19,21-30,42-45,53-59,62-64,88H,20,31-41,76H2,1-6H3,(H,77,98)(H,78,94)(H,79,97)(H,80,99)(H,81,92)(H,82,95)(H,83,93)(H,84,96)(H,90,91)(H,102,103)/t44-,45+,53-,54-,55-,56-,57-,58-,59-,62-,63-,64-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003699
PNG
(CHEMBL3234952)
Show SMILES COc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(n2)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C23H17N5O3S2/c1-29-16-5-2-13(3-6-16)22-26-15(10-32-22)11-33-23-27-20(17(9-24)21(25)28-23)14-4-7-18-19(8-14)31-12-30-18/h2-8,10H,11-12H2,1H3,(H2,25,27,28)
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1.80n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003710
PNG
(CHEMBL3234964)
Show SMILES Nc1nc(SCc2csc(n2)N2CCOCC2)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C20H18N6O3S2/c21-8-14-17(12-1-2-15-16(7-12)29-11-28-15)24-19(25-18(14)22)30-9-13-10-31-20(23-13)26-3-5-27-6-4-26/h1-2,7,10H,3-6,9,11H2,(H2,22,24,25)
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1.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060728
PNG
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]propionyl-pNPY from neuropeptide Y1 receptor in human SK-N-MC cells


J Med Chem 51: 8168-72 (2008)


Article DOI: 10.1021/jm801018u
BindingDB Entry DOI: 10.7270/Q2WM1D8T
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117122
PNG
(CHEMBL3613127)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)-c2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C24H16FN5OS2/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30)
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2.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](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)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)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 |wU:126.131,95.100,125.128,101.104,8.17,143.146,20.28,41.47,163.166,54.58,wD:117.120,109.112,84.95,4.4,132.135,72.84,30.39,152.155,60.71,118.122,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;61.61,4.68,;60.84,3.34,;59.3,3.34,;61.61,2.01,;63.15,2.01,;63.92,.68,;65.46,.68,;66.23,-.66,;67.77,-.66,;68.54,-1.99,;68.54,.68,;60.84,.68,;61.61,-.66,;63.15,-.66,;60.84,-1.99,;59.3,-1.99,;61.61,-3.32,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
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2.39n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003708
PNG
(CHEMBL3234962)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccccc2)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C22H15N5O2S2/c23-9-16-19(14-6-7-17-18(8-14)29-12-28-17)26-22(27-20(16)24)31-11-15-10-30-21(25-15)13-4-2-1-3-5-13/h1-8,10H,11-12H2,(H2,24,26,27)
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2.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003700
PNG
(CHEMBL3234953)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccc3OCOc3c2)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C23H15N5O4S2/c24-7-15-20(12-1-3-16-18(5-12)31-10-29-16)27-23(28-21(15)25)34-9-14-8-33-22(26-14)13-2-4-17-19(6-13)32-11-30-17/h1-6,8H,9-11H2,(H2,25,27,28)
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2.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50038678
PNG
(CHEMBL57000 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...)
Show SMILES CNCCc1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C11H16BrNO2/c1-13-5-4-8-6-11(15-3)9(12)7-10(8)14-2/h6-7,13H,4-5H2,1-3H3
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2.90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50138784
PNG
((1R,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-hydroxy-...)
Show SMILES N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m0/s1
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3n/an/an/an/an/an/an/an/a



Lilly, SA

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards metabotropic glutamate receptor 3 was determined


J Med Chem 47: 456-66 (2004)


Article DOI: 10.1021/jm030967o
BindingDB Entry DOI: 10.7270/Q2K936Z5
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003698
PNG
(CHEMBL3234951)
Show SMILES Cc1ccc(cc1)-c1nc(CSc2nc(N)c(C#N)c(n2)-c2ccc3OCOc3c2)cs1
Show InChI InChI=1S/C23H17N5O2S2/c1-13-2-4-14(5-3-13)22-26-16(10-31-22)11-32-23-27-20(17(9-24)21(25)28-23)15-6-7-18-19(8-15)30-12-29-18/h2-8,10H,11-12H2,1H3,(H2,25,27,28)
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3.10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117134
PNG
(CHEMBL3613126)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)N2CCOCC2)c1C#N
Show InChI InChI=1S/C22H20N6O2S2/c1-29-16-4-2-14(3-5-16)19-17(10-23)20(25)27-21(18(19)11-24)31-12-15-13-32-22(26-15)28-6-8-30-9-7-28/h2-5,13H,6-9,12H2,1H3,(H2,25,27)
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3.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM84998
PNG
(NPY 3-36, porcine)
Show InChI InChI=1S/C194H295N53O58/c1-17-101(12)155(241-182(294)144-37-25-73-244(144)187(299)117(196)82-106-39-49-112(251)50-40-106)184(296)224-125(29-18-19-67-195)188(300)245-74-27-36-143(245)181(293)222-122(60-64-151(261)262)159(271)216-104(15)186(298)243-72-24-34-141(243)179(291)212-92-148(258)217-121(59-63-150(259)260)163(275)237-138(90-154(267)268)167(279)215-103(14)158(270)240-149(94-249)305(304)247-76-28-38-145(247)183(295)223-124(62-66-153(265)266)164(276)220-123(61-65-152(263)264)165(277)226-128(78-97(4)5)170(282)235-136(88-146(197)256)175(287)219-118(30-20-68-208-191(199)200)160(272)231-133(84-108-43-53-114(253)54-44-108)173(285)232-132(83-107-41-51-113(252)52-42-107)166(278)214-102(13)157(269)239-140(93-248)178(290)230-127(77-96(2)3)168(280)218-119(31-21-69-209-192(201)202)161(273)234-135(87-111-91-207-95-213-111)174(286)233-134(85-109-45-55-115(254)56-46-109)172(284)227-130(80-99(8)9)171(283)236-137(89-147(198)257)176(288)228-129(79-98(6)7)169(281)229-131(81-100(10)11)177(289)242-156(105(16)250)185(297)225-126(33-23-71-211-194(205)206)189(301)246-75-26-35-142(246)180(292)221-120(32-22-70-210-193(203)204)162(274)238-139(190(302)303)86-110-47-57-116(255)58-48-110/h39-58,91,95-105,117-145,149,155-156,248-255H,17-38,59-90,92-94,195-196H2,1-16H3,(H2,197,256)(H2,198,257)(H,207,213)(H,212,291)(H,214,278)(H,215,279)(H,216,271)(H,217,258)(H,218,280)(H,219,287)(H,220,276)(H,221,292)(H,222,293)(H,223,295)(H,224,296)(H,225,297)(H,226,277)(H,227,284)(H,228,288)(H,229,281)(H,230,290)(H,231,272)(H,232,285)(H,233,286)(H,234,273)(H,235,282)(H,236,283)(H,237,275)(H,238,274)(H,239,269)(H,240,270)(H,241,294)(H,242,289)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,302,303)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t101?,102-,103-,104-,105+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,149+,155-,156-/m0/s1
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3.22n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
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