Found 644 hits with Last Name = 'laz' and Initial = 't' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM82288
(NPY, porcine | NPY26-36, porcine)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)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:56.59,55.56,31.32,8.17,73.74,20.21,93.94,wD:47.48,39.40,4.4,62.63,82.83,48.50,2.2,(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,;42.36,-.86,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;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/C67H106N22O16/c1-8-34(5)52(87-62(102)48(28-38-16-20-41(92)21-17-38)84-56(96)42(68)29-39-31-76-32-79-39)63(103)86-49(30-51(70)94)60(100)85-47(26-33(3)4)61(101)88-53(35(6)9-2)64(104)89-54(36(7)90)65(105)82-44(13-11-25-78-67(74)75)57(97)81-45(22-23-50(69)93)59(99)80-43(12-10-24-77-66(72)73)58(98)83-46(55(71)95)27-37-14-18-40(91)19-15-37/h14-21,31-36,42-49,52-54,90-92H,8-13,22-30,68H2,1-7H3,(H2,69,93)(H2,70,94)(H2,71,95)(H,76,79)(H,80,99)(H,81,97)(H,82,105)(H,83,98)(H,84,96)(H,85,100)(H,86,103)(H,87,102)(H,88,101)(H,89,104)(H4,72,73,77)(H4,74,75,78)/t34-,35-,36+,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50015490
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)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](CCSC)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](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/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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM82421
(CAS_81858-94-8 | PYY, porcine)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=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](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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(O)=O 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM82299
(PYY Pro34, Human)Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)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](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C193H293N53O58/c1-17-100(12)154(240-180(292)142-37-25-73-243(142)186(298)116(195)81-105-39-49-111(250)50-40-105)183(295)223-124(29-18-19-67-194)187(299)244-74-27-36-141(244)179(291)221-121(60-64-149(260)261)158(270)215-103(15)185(297)242-72-24-34-139(242)177(289)211-91-146(257)216-120(59-63-148(258)259)162(274)235-136(89-152(266)267)166(278)214-102(14)157(269)238-147(93-248)304(303)246-76-28-38-143(246)181(293)222-123(62-66-151(264)265)163(275)219-122(61-65-150(262)263)164(276)225-127(78-96(4)5)168(280)233-134(87-144(196)255)173(285)218-117(30-20-68-207-190(198)199)159(271)229-131(83-107-43-53-113(252)54-44-107)171(283)230-130(82-106-41-51-112(251)52-42-106)165(277)213-101(13)156(268)237-138(92-247)176(288)228-126(77-95(2)3)167(279)217-118(31-21-69-208-191(200)201)160(272)232-133(86-110-90-206-94-212-110)172(284)231-132(84-108-45-55-114(253)56-46-108)170(282)226-128(79-97(6)7)169(281)234-135(88-145(197)256)174(286)227-129(80-98(8)9)175(287)239-153(99(10)11)182(294)241-155(104(16)249)184(296)224-125(33-23-71-210-193(204)205)188(300)245-75-26-35-140(245)178(290)220-119(32-22-70-209-192(202)203)161(273)236-137(189(301)302)85-109-47-57-115(254)58-48-109/h39-58,90,94-104,116-143,147,153-155,247-254H,17-38,59-89,91-93,194-195H2,1-16H3,(H2,196,255)(H2,197,256)(H,206,212)(H,211,289)(H,213,277)(H,214,278)(H,215,270)(H,216,257)(H,217,279)(H,218,285)(H,219,275)(H,220,290)(H,221,291)(H,222,293)(H,223,295)(H,224,296)(H,225,276)(H,226,282)(H,227,286)(H,228,288)(H,229,271)(H,230,283)(H,231,284)(H,232,272)(H,233,280)(H,234,281)(H,235,274)(H,236,273)(H,237,268)(H,238,269)(H,239,287)(H,240,292)(H,241,294)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,301,302)(H4,198,199,207)(H4,200,201,208)(H4,202,203,209)(H4,204,205,210)/t100?,101-,102-,103-,104+,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-,141-,142-,143-,147+,153-,154-,155-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM82276
(L31,P34-NPY,human | NPY Leu31, Pro34, human, rat |...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)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](CCSC)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(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C188H282N54O56S/c1-15-94(8)148(178(292)231-127(81-139(191)251)165(279)223-122(74-92(4)5)168(282)235-147(93(6)7)177(291)237-149(99(13)245)179(293)220-119(31-21-66-206-188(200)201)183(297)241-70-25-35-137(241)174(288)218-114(30-20-65-205-187(198)199)155(269)221-120(150(193)264)76-101-39-49-107(247)50-40-101)236-169(283)125(79-104-45-55-110(250)56-46-104)226-164(278)126(80-105-86-202-90-208-105)227-157(271)113(29-19-64-204-186(196)197)216-161(275)121(73-91(2)3)222-153(267)96(10)210-170(284)132(88-243)233-163(277)124(78-103-43-53-109(249)54-44-103)225-162(276)123(77-102-41-51-108(248)52-42-102)224-156(270)112(28-18-63-203-185(194)195)214-151(265)95(9)209-154(268)117(61-72-299-14)217-166(280)129(84-145(260)261)229-159(273)116(58-60-143(256)257)215-152(266)97(11)211-173(287)135-33-23-67-238(135)180(294)98(12)212-160(274)128(83-144(258)259)228-158(272)115(57-59-142(254)255)213-141(253)87-207-172(286)134-32-22-69-240(134)184(298)131(82-140(192)252)232-167(281)130(85-146(262)263)230-175(289)138-36-26-71-242(138)182(296)118(27-16-17-62-189)219-171(285)133(89-244)234-176(290)136-34-24-68-239(136)181(295)111(190)75-100-37-47-106(246)48-38-100/h37-56,86,90-99,111-138,147-149,243-250H,15-36,57-85,87-89,189-190H2,1-14H3,(H2,191,251)(H2,192,252)(H2,193,264)(H,202,208)(H,207,286)(H,209,268)(H,210,284)(H,211,287)(H,212,274)(H,213,253)(H,214,265)(H,215,266)(H,216,275)(H,217,280)(H,218,288)(H,219,285)(H,220,293)(H,221,269)(H,222,267)(H,223,279)(H,224,270)(H,225,276)(H,226,278)(H,227,271)(H,228,272)(H,229,273)(H,230,289)(H,231,292)(H,232,281)(H,233,277)(H,234,290)(H,235,282)(H,236,283)(H,237,291)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,194,195,203)(H4,196,197,204)(H4,198,199,205)(H4,200,201,206)/t94-,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-,147-,148-,149-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM82279
(CAS_118997-30-1 | PYY, human)Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)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](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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(O)=O Show InChI InChI=1S/C193H294N54O59/c1-17-99(12)154(242-181(295)141-35-25-73-245(141)187(301)115(195)80-104-37-47-110(251)48-38-104)184(298)226-125(28-18-19-67-194)188(302)246-74-26-34-140(246)180(294)223-122(59-64-149(262)263)158(272)216-102(15)186(300)244-72-24-33-139(244)179(293)212-90-146(259)217-120(58-63-148(260)261)163(277)237-136(88-152(268)269)168(282)215-101(14)157(271)240-147(92-249)306(305)247-75-27-36-142(247)182(296)224-124(61-66-151(266)267)165(279)222-123(60-65-150(264)265)166(280)227-127(77-95(4)5)170(284)235-134(86-144(197)257)175(289)220-116(29-20-68-208-190(199)200)160(274)231-131(82-106-41-51-112(253)52-42-106)173(287)232-130(81-105-39-49-111(252)50-40-105)167(281)214-100(13)156(270)239-138(91-248)178(292)230-126(76-94(2)3)169(283)219-117(30-21-69-209-191(201)202)161(275)234-133(85-109-89-207-93-213-109)174(288)233-132(83-107-43-53-113(254)54-44-107)172(286)228-128(78-96(6)7)171(285)236-135(87-145(198)258)176(290)229-129(79-97(8)9)177(291)241-153(98(10)11)183(297)243-155(103(16)250)185(299)225-119(32-23-71-211-193(205)206)159(273)221-121(57-62-143(196)256)164(278)218-118(31-22-70-210-192(203)204)162(276)238-137(189(303)304)84-108-45-55-114(255)56-46-108/h37-56,89,93-103,115-142,147,153-155,248-255H,17-36,57-88,90-92,194-195H2,1-16H3,(H2,196,256)(H2,197,257)(H2,198,258)(H,207,213)(H,212,293)(H,214,281)(H,215,282)(H,216,272)(H,217,259)(H,218,278)(H,219,283)(H,220,289)(H,221,273)(H,222,279)(H,223,294)(H,224,296)(H,225,299)(H,226,298)(H,227,280)(H,228,286)(H,229,290)(H,230,292)(H,231,274)(H,232,287)(H,233,288)(H,234,275)(H,235,284)(H,236,285)(H,237,277)(H,238,276)(H,239,270)(H,240,271)(H,241,291)(H,242,295)(H,243,297)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,303,304)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t99?,100-,101-,102-,103+,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-,141-,142-,147+,153-,154-,155-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82279
(CAS_118997-30-1 | PYY, human)Show SMILES CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)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](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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(O)=O Show InChI InChI=1S/C193H294N54O59/c1-17-99(12)154(242-181(295)141-35-25-73-245(141)187(301)115(195)80-104-37-47-110(251)48-38-104)184(298)226-125(28-18-19-67-194)188(302)246-74-26-34-140(246)180(294)223-122(59-64-149(262)263)158(272)216-102(15)186(300)244-72-24-33-139(244)179(293)212-90-146(259)217-120(58-63-148(260)261)163(277)237-136(88-152(268)269)168(282)215-101(14)157(271)240-147(92-249)306(305)247-75-27-36-142(247)182(296)224-124(61-66-151(266)267)165(279)222-123(60-65-150(264)265)166(280)227-127(77-95(4)5)170(284)235-134(86-144(197)257)175(289)220-116(29-20-68-208-190(199)200)160(274)231-131(82-106-41-51-112(253)52-42-106)173(287)232-130(81-105-39-49-111(252)50-40-105)167(281)214-100(13)156(270)239-138(91-248)178(292)230-126(76-94(2)3)169(283)219-117(30-21-69-209-191(201)202)161(275)234-133(85-109-89-207-93-213-109)174(288)233-132(83-107-43-53-113(254)54-44-107)172(286)228-128(78-96(6)7)171(285)236-135(87-145(198)258)176(290)229-129(79-97(8)9)177(291)241-153(98(10)11)183(297)243-155(103(16)250)185(299)225-119(32-23-71-211-193(205)206)159(273)221-121(57-62-143(196)256)164(278)218-118(31-22-70-210-192(203)204)162(276)238-137(189(303)304)84-108-45-55-114(255)56-46-108/h37-56,89,93-103,115-142,147,153-155,248-255H,17-36,57-88,90-92,194-195H2,1-16H3,(H2,196,256)(H2,197,257)(H2,198,258)(H,207,213)(H,212,293)(H,214,281)(H,215,282)(H,216,272)(H,217,259)(H,218,278)(H,219,283)(H,220,289)(H,221,273)(H,222,279)(H,223,294)(H,224,296)(H,225,299)(H,226,298)(H,227,280)(H,228,286)(H,229,290)(H,230,292)(H,231,274)(H,232,287)(H,233,288)(H,234,275)(H,235,284)(H,236,285)(H,237,277)(H,238,276)(H,239,270)(H,240,271)(H,241,291)(H,242,295)(H,243,297)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,303,304)(H4,199,200,208)(H4,201,202,209)(H4,203,204,210)(H4,205,206,211)/t99?,100-,101-,102-,103+,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-,141-,142-,147+,153-,154-,155-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82421
(CAS_81858-94-8 | PYY, porcine)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=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](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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(O)=O 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50015490
(CHEMBL438945 | H-YPSKPDNPGEDAPAEDMARYYSALRHYINLITR...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)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](CCSC)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](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/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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM85696
(LTB4-20-hydroxy)Show SMILES OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
J Biol Chem 275: 40686-94 (2000)
Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82280
(PYY3-36, human)Show SMILES CCC(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](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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(O)=O Show InChI InChI=1S/C179H278N52O56/c1-17-91(12)141(184)170(279)212-114(27-18-19-61-180)174(283)230-67-25-33-129(230)168(277)209-111(53-58-137(245)246)146(255)202-94(15)173(282)229-66-24-32-128(229)167(276)198-82-134(242)203-109(52-57-136(243)244)151(260)223-125(80-140(251)252)156(265)201-93(14)145(254)226-135(84-233)287(286)231-68-26-34-130(231)169(278)210-113(55-60-139(249)250)153(262)208-112(54-59-138(247)248)154(263)213-116(70-87(4)5)158(267)221-123(78-132(182)240)163(272)206-105(28-20-62-194-176(185)186)148(257)217-120(74-97-37-45-102(236)46-38-97)161(270)218-119(73-96-35-43-101(235)44-36-96)155(264)200-92(13)144(253)225-127(83-232)166(275)216-115(69-86(2)3)157(266)205-106(29-21-63-195-177(187)188)149(258)220-122(77-100-81-193-85-199-100)162(271)219-121(75-98-39-47-103(237)48-40-98)160(269)214-117(71-88(6)7)159(268)222-124(79-133(183)241)164(273)215-118(72-89(8)9)165(274)227-142(90(10)11)171(280)228-143(95(16)234)172(281)211-108(31-23-65-197-179(191)192)147(256)207-110(51-56-131(181)239)152(261)204-107(30-22-64-196-178(189)190)150(259)224-126(175(284)285)76-99-41-49-104(238)50-42-99/h35-50,81,85-95,105-130,135,141-143,232-238H,17-34,51-80,82-84,180,184H2,1-16H3,(H2,181,239)(H2,182,240)(H2,183,241)(H,193,199)(H,198,276)(H,200,264)(H,201,265)(H,202,255)(H,203,242)(H,204,261)(H,205,266)(H,206,272)(H,207,256)(H,208,262)(H,209,277)(H,210,278)(H,211,281)(H,212,279)(H,213,263)(H,214,269)(H,215,273)(H,216,275)(H,217,257)(H,218,270)(H,219,271)(H,220,258)(H,221,267)(H,222,268)(H,223,260)(H,224,259)(H,225,253)(H,226,254)(H,227,274)(H,228,280)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,284,285)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)(H4,191,192,197)/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-,135+,141-,142-,143-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50013889
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
J Biol Chem 275: 40686-94 (2000)
Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82288
(NPY, porcine | NPY26-36, porcine)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)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:56.59,55.56,31.32,8.17,73.74,20.21,93.94,wD:47.48,39.40,4.4,62.63,82.83,48.50,2.2,(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,;42.36,-.86,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;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/C67H106N22O16/c1-8-34(5)52(87-62(102)48(28-38-16-20-41(92)21-17-38)84-56(96)42(68)29-39-31-76-32-79-39)63(103)86-49(30-51(70)94)60(100)85-47(26-33(3)4)61(101)88-53(35(6)9-2)64(104)89-54(36(7)90)65(105)82-44(13-11-25-78-67(74)75)57(97)81-45(22-23-50(69)93)59(99)80-43(12-10-24-77-66(72)73)58(98)83-46(55(71)95)27-37-14-18-40(91)19-15-37/h14-21,31-36,42-49,52-54,90-92H,8-13,22-30,68H2,1-7H3,(H2,69,93)(H2,70,94)(H2,71,95)(H,76,79)(H,80,99)(H,81,97)(H,82,105)(H,83,98)(H,84,96)(H,85,100)(H,86,103)(H,87,102)(H,88,101)(H,89,104)(H4,72,73,77)(H4,74,75,78)/t34-,35-,36+,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448144
(CHEMBL3122212)Show InChI InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240887
(CHEMBL4066731)Show SMILES Clc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)c1 |r| Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM82287
(NPY2-36 | NPY2-36, human | NPY2-36, 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](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]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](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/C181H278N54O55/c1-16-89(9)141(172(285)226-122(76-133(184)244)162(275)218-117(70-88(7)8)165(278)231-142(90(10)17-2)173(286)232-143(95(15)238)174(287)213-109(33-24-64-200-181(193)194)149(262)212-111(53-56-132(183)243)154(267)210-107(31-22-62-198-179(189)190)150(263)215-114(144(186)257)71-96-37-45-101(239)46-38-96)230-166(279)120(74-99-43-51-104(242)52-44-99)221-161(274)121(75-100-81-195-85-202-100)222-152(265)108(32-23-63-199-180(191)192)211-158(271)116(69-87(5)6)216-147(260)92(12)204-167(280)127(83-236)229-160(273)119(73-98-41-49-103(241)50-42-98)220-159(272)118(72-97-39-47-102(240)48-40-97)219-151(264)106(30-21-61-197-178(187)188)208-145(258)91(11)203-156(269)115(68-86(3)4)217-163(276)124(79-139(253)254)224-155(268)112(55-58-137(249)250)209-146(259)93(13)205-170(283)130-35-26-65-233(130)175(288)94(14)206-157(270)123(78-138(251)252)223-153(266)110(54-57-136(247)248)207-135(246)82-201-169(282)129-34-25-66-234(129)177(290)126(77-134(185)245)227-164(277)125(80-140(255)256)225-171(284)131-36-27-67-235(131)176(289)113(28-18-19-59-182)214-168(281)128(84-237)228-148(261)105-29-20-60-196-105/h37-52,81,85-95,105-131,141-143,196,236-242H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,243)(H2,184,244)(H2,185,245)(H2,186,257)(H,195,202)(H,201,282)(H,203,269)(H,204,280)(H,205,283)(H,206,270)(H,207,246)(H,208,258)(H,209,259)(H,210,267)(H,211,271)(H,212,262)(H,213,287)(H,214,281)(H,215,263)(H,216,260)(H,217,276)(H,218,275)(H,219,264)(H,220,272)(H,221,274)(H,222,265)(H,223,266)(H,224,268)(H,225,284)(H,226,285)(H,227,277)(H,228,261)(H,229,273)(H,230,279)(H,231,278)(H,232,286)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t89-,90-,91-,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
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 1.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448157
(CHEMBL3122215)Show InChI InChI=1S/C18H15ClN6O/c1-11-13(7-20-8-14(11)19)16-17-18(25(2)24-16)23-15(9-22-17)26-10-12-5-3-4-6-21-12/h3-9H,10H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82290
(PYY 3-36, rat | PYY13-36, porcine)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)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(O)=O Show InChI InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 1.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240900
(CHEMBL4091620)Show SMILES CC(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 |r| Show InChI InChI=1S/C19H21N3O3/c1-13(2)6-16-11-24-12-17-21-18(8-19(23)22(16)17)25-10-15-5-3-4-14(7-15)9-20/h3-5,7-8,13,16H,6,10-12H2,1-2H3/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82277
(NPY2-36, human | NPY2-36, rat, human)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)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](CCSC)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]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 Show InChI InChI=1S/C180H276N54O55S/c1-15-88(7)140(171(284)225-121(76-132(183)243)161(274)217-116(70-87(5)6)164(277)230-141(89(8)16-2)172(285)231-142(94(13)237)173(286)213-108(32-23-64-199-180(192)193)149(262)211-110(52-55-131(182)242)154(267)209-106(30-21-62-197-178(188)189)150(263)215-114(143(185)256)71-95-36-44-100(238)45-37-95)229-165(278)119(74-98-42-50-103(241)51-43-98)220-160(273)120(75-99-81-194-85-201-99)221-152(265)107(31-22-63-198-179(190)191)210-157(270)115(69-86(3)4)216-146(259)91(10)203-166(279)126(83-235)228-159(272)118(73-97-40-48-102(240)49-41-97)219-158(271)117(72-96-38-46-101(239)47-39-96)218-151(264)105(29-20-61-196-177(186)187)207-144(257)90(9)202-148(261)112(58-68-290-14)212-162(275)123(79-138(252)253)223-155(268)111(54-57-136(248)249)208-145(258)92(11)204-169(282)129-34-25-65-232(129)174(287)93(12)205-156(269)122(78-137(250)251)222-153(266)109(53-56-135(246)247)206-134(245)82-200-168(281)128-33-24-66-233(128)176(289)125(77-133(184)244)226-163(276)124(80-139(254)255)224-170(283)130-35-26-67-234(130)175(288)113(27-17-18-59-181)214-167(280)127(84-236)227-147(260)104-28-19-60-195-104/h36-51,81,85-94,104-130,140-142,195,235-241H,15-35,52-80,82-84,181H2,1-14H3,(H2,182,242)(H2,183,243)(H2,184,244)(H2,185,256)(H,194,201)(H,200,281)(H,202,261)(H,203,279)(H,204,282)(H,205,269)(H,206,245)(H,207,257)(H,208,258)(H,209,267)(H,210,270)(H,211,262)(H,212,275)(H,213,286)(H,214,280)(H,215,263)(H,216,259)(H,217,274)(H,218,264)(H,219,271)(H,220,273)(H,221,265)(H,222,266)(H,223,268)(H,224,283)(H,225,284)(H,226,276)(H,227,260)(H,228,272)(H,229,278)(H,230,277)(H,231,285)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)(H4,192,193,199)/t88-,89-,90-,91-,92-,93-,94+,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-,129-,130-,140-,141-,142-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM50013889
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
J Biol Chem 275: 40686-94 (2000)
Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448161
(CHEMBL3122210)Show InChI InChI=1S/C17H14N6O/c1-23-17-16(15(22-23)12-5-4-7-18-9-12)20-10-14(21-17)24-11-13-6-2-3-8-19-13/h2-10H,11H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82287
(NPY2-36 | NPY2-36, human | NPY2-36, 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](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]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](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/C181H278N54O55/c1-16-89(9)141(172(285)226-122(76-133(184)244)162(275)218-117(70-88(7)8)165(278)231-142(90(10)17-2)173(286)232-143(95(15)238)174(287)213-109(33-24-64-200-181(193)194)149(262)212-111(53-56-132(183)243)154(267)210-107(31-22-62-198-179(189)190)150(263)215-114(144(186)257)71-96-37-45-101(239)46-38-96)230-166(279)120(74-99-43-51-104(242)52-44-99)221-161(274)121(75-100-81-195-85-202-100)222-152(265)108(32-23-63-199-180(191)192)211-158(271)116(69-87(5)6)216-147(260)92(12)204-167(280)127(83-236)229-160(273)119(73-98-41-49-103(241)50-42-98)220-159(272)118(72-97-39-47-102(240)48-40-97)219-151(264)106(30-21-61-197-178(187)188)208-145(258)91(11)203-156(269)115(68-86(3)4)217-163(276)124(79-139(253)254)224-155(268)112(55-58-137(249)250)209-146(259)93(13)205-170(283)130-35-26-65-233(130)175(288)94(14)206-157(270)123(78-138(251)252)223-153(266)110(54-57-136(247)248)207-135(246)82-201-169(282)129-34-25-66-234(129)177(290)126(77-134(185)245)227-164(277)125(80-140(255)256)225-171(284)131-36-27-67-235(131)176(289)113(28-18-19-59-182)214-168(281)128(84-237)228-148(261)105-29-20-60-196-105/h37-52,81,85-95,105-131,141-143,196,236-242H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,243)(H2,184,244)(H2,185,245)(H2,186,257)(H,195,202)(H,201,282)(H,203,269)(H,204,280)(H,205,283)(H,206,270)(H,207,246)(H,208,258)(H,209,259)(H,210,267)(H,211,271)(H,212,262)(H,213,287)(H,214,281)(H,215,263)(H,216,260)(H,217,276)(H,218,275)(H,219,264)(H,220,272)(H,221,274)(H,222,265)(H,223,266)(H,224,268)(H,225,284)(H,226,285)(H,227,277)(H,228,261)(H,229,273)(H,230,279)(H,231,278)(H,232,286)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t89-,90-,91-,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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 2.34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM82277
(NPY2-36, human | NPY2-36, rat, human)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)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](CCSC)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]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 Show InChI InChI=1S/C180H276N54O55S/c1-15-88(7)140(171(284)225-121(76-132(183)243)161(274)217-116(70-87(5)6)164(277)230-141(89(8)16-2)172(285)231-142(94(13)237)173(286)213-108(32-23-64-199-180(192)193)149(262)211-110(52-55-131(182)242)154(267)209-106(30-21-62-197-178(188)189)150(263)215-114(143(185)256)71-95-36-44-100(238)45-37-95)229-165(278)119(74-98-42-50-103(241)51-43-98)220-160(273)120(75-99-81-194-85-201-99)221-152(265)107(31-22-63-198-179(190)191)210-157(270)115(69-86(3)4)216-146(259)91(10)203-166(279)126(83-235)228-159(272)118(73-97-40-48-102(240)49-41-97)219-158(271)117(72-96-38-46-101(239)47-39-96)218-151(264)105(29-20-61-196-177(186)187)207-144(257)90(9)202-148(261)112(58-68-290-14)212-162(275)123(79-138(252)253)223-155(268)111(54-57-136(248)249)208-145(258)92(11)204-169(282)129-34-25-65-232(129)174(287)93(12)205-156(269)122(78-137(250)251)222-153(266)109(53-56-135(246)247)206-134(245)82-200-168(281)128-33-24-66-233(128)176(289)125(77-133(184)244)226-163(276)124(80-139(254)255)224-170(283)130-35-26-67-234(130)175(288)113(27-17-18-59-181)214-167(280)127(84-236)227-147(260)104-28-19-60-195-104/h36-51,81,85-94,104-130,140-142,195,235-241H,15-35,52-80,82-84,181H2,1-14H3,(H2,182,242)(H2,183,243)(H2,184,244)(H2,185,256)(H,194,201)(H,200,281)(H,202,261)(H,203,279)(H,204,282)(H,205,269)(H,206,245)(H,207,257)(H,208,258)(H,209,267)(H,210,270)(H,211,262)(H,212,275)(H,213,286)(H,214,280)(H,215,263)(H,216,259)(H,217,274)(H,218,264)(H,219,271)(H,220,273)(H,221,265)(H,222,266)(H,223,268)(H,224,283)(H,225,284)(H,226,276)(H,227,260)(H,228,272)(H,229,278)(H,230,277)(H,231,285)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)(H4,192,193,199)/t88-,89-,90-,91-,92-,93-,94+,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-,129-,130-,140-,141-,142-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 2.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448159
(CHEMBL3122213)Show SMILES Cn1nc(-c2cnccc2C(F)(F)F)c2ncc(OCc3ccccn3)nc12 Show InChI InChI=1S/C18H13F3N6O/c1-27-17-16(15(26-27)12-8-22-7-5-13(12)18(19,20)21)24-9-14(25-17)28-10-11-4-2-3-6-23-11/h2-9H,10H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82282
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82420
(NPY, C2 | NPY, C2, porcine | PYY 3-36, porcine)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CS)NC(=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](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 |r,wU:14.21,2.2,79.80,95.96,96.98,110.111,130.131,45.51,60.63,wD:8.10,4.4,24.32,87.88,103.104,104.107,121.122,141.142,54.57,66.67,(12.61,11.35,;12.61,9.83,;11.32,9.08,;10.01,9.83,;11.32,7.56,;12.67,6.79,;14.07,7.56,;14.07,9.14,;15.42,6.79,;15.44,5.3,;14.12,4.5,;16.56,7.56,;17.92,6.79,;19.27,7.56,;17.92,5.19,;16.11,4.26,;16.11,3.19,;15.19,2.51,;15.5,1.43,;16.63,1.43,;17.08,2.47,;19.27,4.42,;19.27,2.82,;17.92,2.07,;20.68,2.03,;22.03,2.74,;22.06,4.3,;23.41,4.96,;23.41,6.5,;24.78,7.19,;26.07,6.34,;24.78,8.69,;20.68,.49,;22.03,-.24,;23.39,.55,;22.03,-1.86,;20.7,-2.63,;19.37,-1.86,;18.28,-2.95,;16.94,-2.18,;15.86,-3.27,;14.52,-2.5,;13.19,-3.27,;11.85,-2.5,;11.85,-.96,;10.52,-3.27,;10.92,-4.76,;9.59,-5.53,;9.98,-7.01,;8.65,-7.78,;9.05,-9.27,;9.19,-2.5,;7.85,-3.27,;7.85,-4.81,;6.52,-2.5,;6.52,-.96,;7.85,-.19,;5.19,-3.27,;3.7,-2.87,;3.7,-1.33,;2.37,-3.64,;2.37,-5.18,;3.7,-5.95,;.88,-3.24,;-.46,-4.01,;-.46,-5.55,;-1.94,-3.61,;-3.03,-4.7,;-1.94,-2.07,;-3.28,-1.3,;-3.28,.24,;-4.61,1.01,;-5.94,.24,;-7.43,.63,;-5.94,-1.3,;-4.61,-2.07,;9.97,6.79,;9.92,5.28,;8.55,7.56,;7.28,6.79,;7.28,5.25,;5.97,4.51,;4.74,5.28,;5.99,3.09,;5.87,7.56,;5.87,9.14,;4.58,6.79,;3.23,7.56,;3.23,9.08,;1.87,9.83,;1.89,11.25,;.52,9.23,;1.87,6.79,;1.89,5.3,;.54,7.52,;-.75,6.75,;-.69,5.28,;-1.94,4.38,;.56,4.61,;.75,3.01,;-2.12,7.52,;-2.14,9.1,;-3.47,6.67,;-4.85,7.5,;-4.91,9.04,;-3.58,9.66,;-6.12,9.79,;-6.22,6.67,;-6.26,5.15,;-7.55,7.52,;-8.99,6.75,;-8.91,5.28,;-10.24,4.42,;-10.13,2.94,;-11.44,2.13,;-11.44,.59,;-12.71,-.2,;-10.11,-.09,;-10.34,7.52,;-10.26,8.98,;-11.57,6.67,;-13.03,7.46,;-12.94,9,;-14.27,9.71,;-14.25,11.23,;-12.96,11.91,;-15.52,11.91,;-14.32,6.73,;-14.32,5.17,;-15.63,7.46,;-17,6.63,;-16.98,5.11,;-18.19,4.3,;-18.12,2.82,;-19.39,2.01,;-19.27,.53,;-20.52,-.32,;-18.04,-.2,;-18.41,7.4,;-18.37,8.85,;-19.77,6.52,;-21.16,7.29,;-21.18,8.85,;-22.24,9.58,;-23.62,8.94,;-24.89,9.71,;-24.86,11.27,;-26.07,12.08,;-23.53,11.93,;-22.2,11.1,;-22.72,6.57,;-24.05,7.73,;-22.72,5.17,)| Show InChI InChI=1S/C96H160N32O23S2/c1-8-51(5)75(127-90(148)71(48-153)125-85(143)67(43-56-45-108-49-113-56)121-81(139)61(21-17-37-110-94(102)103)114-74(135)24-13-11-10-12-16-36-109-80(138)60(20-14-15-35-97)115-88(146)69(46-129)123-89(147)70(47-152)124-79(137)59(98)41-54-25-29-57(131)30-26-54)91(149)122-68(44-73(100)134)86(144)120-66(40-50(3)4)87(145)126-76(52(6)9-2)92(150)128-77(53(7)130)93(151)118-63(23-19-39-112-96(106)107)82(140)117-64(33-34-72(99)133)84(142)116-62(22-18-38-111-95(104)105)83(141)119-65(78(101)136)42-55-27-31-58(132)32-28-55/h25-32,45,49-53,59-71,75-77,129-132,152-153H,8-24,33-44,46-48,97-98H2,1-7H3,(H2,99,133)(H2,100,134)(H2,101,136)(H,108,113)(H,109,138)(H,114,135)(H,115,146)(H,116,142)(H,117,140)(H,118,151)(H,119,141)(H,120,144)(H,121,139)(H,122,149)(H,123,147)(H,124,137)(H,125,143)(H,126,145)(H,127,148)(H,128,150)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t51-,52+,53+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,75-,76-,77-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240888
(CHEMBL4094256)Show SMILES Clc1cccc(COc2cc(=O)n3[C@@H](Cc4ccccc4)COCc3n2)c1 |r| Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
Glutamate receptor 3
(RAT) | BDBM50096326
(6-{(E)-2-[3-(2-Chloro-phenyl)-6-fluoro-4-oxo-3,4-d...)Show SMILES Fc1ccc2nc(\C=C\c3cccc(n3)C#N)n(-c3ccccc3Cl)c(=O)c2c1 |(1.2,-4.46,;2.55,-5.21,;2.55,-6.75,;3.88,-7.52,;5.21,-6.75,;6.56,-7.52,;7.91,-6.73,;9.25,-7.5,;9.25,-9.04,;10.6,-9.81,;10.6,-11.35,;11.93,-12.12,;13.26,-11.35,;13.26,-9.78,;11.92,-9.04,;14.58,-8.99,;15.91,-8.22,;7.91,-5.18,;9.25,-4.41,;9.22,-2.88,;10.53,-2.1,;11.88,-2.85,;11.91,-4.39,;10.57,-5.18,;10.57,-6.72,;6.56,-4.41,;6.54,-2.87,;5.21,-5.19,;3.88,-4.42,)| Show InChI InChI=1S/C22H12ClFN4O/c23-18-6-1-2-7-20(18)28-21(11-9-15-4-3-5-16(13-25)26-15)27-19-10-8-14(24)12-17(19)22(28)29/h1-12H/b11-9+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by PDSP Ki Database
| |
Mol Pharmacol 58: 1310-7 (2000)
Article DOI: 10.1124/mol.58.6.1310
BindingDB Entry DOI: 10.7270/Q24X56B1 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240881
(CHEMBL4090712)Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 |r| Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)9-16-12-25-13-17-22-18(8-19(24)23(16)17)26-11-15-6-4-5-14(7-15)10-21/h4-8,16H,9,11-13H2,1-3H3/t16-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82292
(NPY20-36, porcine | NPY26-36, 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](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](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:110.115,109.112,85.88,8.17,127.130,20.28,41.47,147.150,54.58,wD:101.104,93.96,4.4,116.119,72.75,30.39,136.139,60.71,102.106,2.2,49.51,(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,;61.61,4.68,;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,;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/C103H157N31O25/c1-11-53(7)81(98(157)130-77(47-80(106)142)94(153)127-73(41-52(5)6)95(154)133-82(54(8)12-2)99(158)134-83(56(10)136)100(159)123-69(18-15-39-117-103(112)113)87(146)122-70(35-36-79(105)141)90(149)120-67(16-13-37-115-101(108)109)88(147)124-71(84(107)143)43-58-21-29-63(138)30-22-58)132-96(155)75(45-60-25-33-65(140)34-26-60)128-93(152)76(46-61-48-114-50-118-61)129-89(148)68(17-14-38-116-102(110)111)121-91(150)72(40-51(3)4)125-85(144)55(9)119-97(156)78(49-135)131-92(151)74(44-59-23-31-64(139)32-24-59)126-86(145)66(104)42-57-19-27-62(137)28-20-57/h19-34,48,50-56,66-78,81-83,135-140H,11-18,35-47,49,104H2,1-10H3,(H2,105,141)(H2,106,142)(H2,107,143)(H,114,118)(H,119,156)(H,120,149)(H,121,150)(H,122,146)(H,123,159)(H,124,147)(H,125,144)(H,126,145)(H,127,153)(H,128,152)(H,129,148)(H,130,157)(H,131,151)(H,132,155)(H,133,154)(H,134,158)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 3.55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM85702
(CAS_5283125 | LTB5 | NSC_5283125)Show SMILES CCC=CCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O |w:2.1,5.4,10.9,12.11,14.13| Show InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
J Biol Chem 275: 40686-94 (2000)
Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240885
(CHEMBL4064010)Show SMILES O=c1cc(OCc2cccc(c2)C#N)nc2COC[C@@H](Cc3ccccc3)n12 |r| Show InChI InChI=1S/C22H19N3O3/c23-12-17-7-4-8-18(9-17)13-28-21-11-22(26)25-19(14-27-15-20(25)24-21)10-16-5-2-1-3-6-16/h1-9,11,19H,10,13-15H2/t19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240890
(CHEMBL4078647)Show SMILES Clc1cccc(COc2cc(=O)n3cc(Oc4cccnc4)ccc3n2)c1 Show InChI InChI=1S/C20H14ClN3O3/c21-15-4-1-3-14(9-15)13-26-19-10-20(25)24-12-17(6-7-18(24)23-19)27-16-5-2-8-22-11-16/h1-12H,13H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448149
(CHEMBL3122224)Show InChI InChI=1S/C18H21N5O2/c1-4-23(5-2)18(24)16-14-9-10-15(20-17(14)22(3)21-16)25-12-13-8-6-7-11-19-13/h6-11H,4-5,12H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448163
(CHEMBL3122208)Show InChI InChI=1S/C18H15N5O/c1-23-18-14(17(22-23)15-7-3-5-11-20-15)8-9-16(21-18)24-12-13-6-2-4-10-19-13/h2-11H,12H2,1H3 | PDB
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| CHEMBL
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| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM85692
(LTB4-3-aminopropylamide)Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)NCCCN |r| Show InChI InChI=1S/C23H40N2O3/c1-2-3-4-5-6-9-14-21(26)15-10-7-8-11-16-22(27)17-12-18-23(28)25-20-13-19-24/h6-11,15-16,21-22,26-27H,2-5,12-14,17-20,24H2,1H3,(H,25,28)/b8-7+,9-6-,15-10+,16-11-/t21-,22-/m1/s1 | PDB
UniProtKB/SwissProt
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
J Biol Chem 275: 40686-94 (2000)
Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240884
(CHEMBL4085572)Show SMILES Cc1csc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)n1 |r| Show InChI InChI=1S/C19H19N3O3S/c1-13-12-26-18(20-13)11-25-17-8-19(23)22-15(9-24-10-16(22)21-17)7-14-5-3-2-4-6-14/h2-6,8,12,15H,7,9-11H2,1H3/t15-/m1/s1 | PDB
MMDB
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| CHEMBL
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| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
Pyroglutamylated RF-amide peptide receptor
(Homo sapiens (Human)) | BDBM50347819
(CHEMBL1802414 | P550)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C126H195N37O37/c1-65(2)49-83(155-122(199)94-35-24-48-163(94)98(174)59-142-107(184)89(60-164)157-103(180)68(7)128)106(183)141-58-97(173)162-101(70(9)169)123(200)156-84(50-66(3)4)113(190)143-69(8)104(181)145-80(40-42-99(175)176)111(188)150-81(41-43-100(177)178)112(189)152-85(51-67(5)6)114(191)158-93(64-168)121(198)161-92(63-167)120(197)154-88(55-74-36-38-75(170)39-37-74)117(194)160-90(61-165)118(195)149-78(33-22-46-137-125(132)133)109(186)147-77(32-21-45-136-124(130)131)108(185)146-76(31-19-20-44-127)105(182)140-56-95(171)139-57-96(172)144-86(53-72-27-15-11-16-28-72)115(192)159-91(62-166)119(196)153-87(54-73-29-17-12-18-30-73)116(193)148-79(34-23-47-138-126(134)135)110(187)151-82(102(129)179)52-71-25-13-10-14-26-71/h10-18,25-30,36-39,65-70,76-94,101,164-170H,19-24,31-35,40-64,127-128H2,1-9H3,(H2,129,179)(H,139,171)(H,140,182)(H,141,183)(H,142,184)(H,143,190)(H,144,172)(H,145,181)(H,146,185)(H,147,186)(H,148,193)(H,149,195)(H,150,188)(H,151,187)(H,152,189)(H,153,196)(H,154,197)(H,155,199)(H,156,200)(H,157,180)(H,158,191)(H,159,192)(H,160,194)(H,161,198)(H,162,173)(H,175,176)(H,177,178)(H4,130,131,136)(H4,132,133,137)(H4,134,135,138)/t68-,69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,101-/m0/s1 | UniProtKB/SwissProt
antibodypedia
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| Article
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
J Biol Chem 278: 27652-7 (2003)
Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240882
(CHEMBL4063837)Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12 |r| Show InChI InChI=1S/C18H23N3O3/c1-18(2,3)9-14-11-23-12-15-20-16(8-17(22)21(14)15)24-10-13-6-4-5-7-19-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1 | PDB
MMDB
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| Purchase
CHEMBL
PC cid
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| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448162
(CHEMBL3122209)Show InChI InChI=1S/C18H15N5O/c1-23-18-15(17(22-23)13-5-4-9-19-11-13)7-8-16(21-18)24-12-14-6-2-3-10-20-14/h2-11H,12H2,1H3 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448158
(CHEMBL3122214)Show SMILES Cn1nc(-c2ncccc2OC(F)F)c2ncc(OCc3ccccn3)nc12 Show InChI InChI=1S/C18H14F2N6O2/c1-26-17-16(15(25-26)14-12(28-18(19)20)6-4-8-22-14)23-9-13(24-17)27-10-11-5-2-3-7-21-11/h2-9,18H,10H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448150
(CHEMBL3122225)Show SMILES C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12 |r| Show InChI InChI=1S/C19H21N5O2/c1-13-6-5-11-24(13)19(25)17-15-8-9-16(21-18(15)23(2)22-17)26-12-14-7-3-4-10-20-14/h3-4,7-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM82283
(NPY16-36, 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](N)CC(O)=O)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:142.147,100.108,141.144,117.120,8.17,159.162,20.28,41.47,179.182,54.58,95.99,wD:108.112,133.136,125.128,84.95,4.4,148.151,72.84,30.39,168.171,60.71,134.138,2.2,49.51,(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,-8.66,;66.23,-5.99,;67.77,-5.99,;68.54,-4.66,;68.54,-7.33,;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/C122H190N38O31/c1-14-62(9)95(116(189)156-90(55-93(125)168)112(185)151-85(48-61(7)8)113(186)159-96(63(10)15-2)117(190)160-97(66(13)162)118(191)147-80(23-19-45-139-122(133)134)102(175)146-81(40-41-92(124)167)106(179)144-78(21-17-43-137-120(129)130)103(176)148-82(98(126)171)49-67-24-32-72(163)33-25-67)158-114(187)88(52-70-30-38-75(166)39-31-70)154-111(184)89(53-71-56-135-58-140-71)155-105(178)79(22-18-44-138-121(131)132)145-108(181)84(47-60(5)6)149-100(173)65(12)142-115(188)91(57-161)157-110(183)87(51-69-28-36-74(165)37-29-69)153-109(182)86(50-68-26-34-73(164)35-27-68)152-104(177)77(20-16-42-136-119(127)128)143-99(172)64(11)141-107(180)83(46-59(3)4)150-101(174)76(123)54-94(169)170/h24-39,56,58-66,76-91,95-97,161-166H,14-23,40-55,57,123H2,1-13H3,(H2,124,167)(H2,125,168)(H2,126,171)(H,135,140)(H,141,180)(H,142,188)(H,143,172)(H,144,179)(H,145,181)(H,146,175)(H,147,191)(H,148,176)(H,149,173)(H,150,174)(H,151,185)(H,152,177)(H,153,182)(H,154,184)(H,155,178)(H,156,189)(H,157,183)(H,158,187)(H,159,186)(H,160,190)(H,169,170)(H4,127,128,136)(H4,129,130,137)(H4,131,132,138)(H4,133,134,139)/t62-,63-,64-,65-,66+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,95-,96-,97-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 6.61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
EMBO J 14: 2806-15 (1995)
BindingDB Entry DOI: 10.7270/Q2BK19VW |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448154
(CHEMBL3122218)Show InChI InChI=1S/C19H18N6O/c1-3-25-19-18(17(24-25)15-10-20-9-7-13(15)2)22-11-16(23-19)26-12-14-6-4-5-8-21-14/h4-11H,3,12H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240879
(CHEMBL4089073)Show InChI InChI=1S/C15H11ClN2O2/c16-12-5-3-4-11(8-12)10-20-14-9-15(19)18-7-2-1-6-13(18)17-14/h1-9H,10H2 | PDB
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PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604
BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this
Ligand-Target Pair | |
Pyroglutamylated RF-amide peptide receptor
(Homo sapiens (Human)) | BDBM50347818
(CHEMBL1802413 | P518)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r| Show InChI InChI=1S/C127H195N37O37/c1-66(2)49-83(160-124(200)94-35-24-48-164(94)101(176)62-144-110(186)91(63-165)163-125(201)104(132)70(8)168)108(184)142-61-100(175)148-90(57-96(131)171)121(197)157-84(50-67(3)4)116(192)145-69(7)106(182)149-80(40-42-102(177)178)114(190)154-81(41-43-103(179)180)115(191)156-85(51-68(5)6)117(193)159-89(56-95(130)170)109(185)143-60-99(174)147-87(55-74-36-38-75(169)39-37-74)119(195)161-92(64-166)122(198)153-78(33-22-46-138-126(134)135)112(188)151-77(32-19-21-45-129)111(187)150-76(31-18-20-44-128)107(183)141-58-97(172)140-59-98(173)146-86(53-72-27-14-10-15-28-72)118(194)162-93(65-167)123(199)158-88(54-73-29-16-11-17-30-73)120(196)152-79(34-23-47-139-127(136)137)113(189)155-82(105(133)181)52-71-25-12-9-13-26-71/h9-17,25-30,36-39,66-70,76-94,104,165-169H,18-24,31-35,40-65,128-129,132H2,1-8H3,(H2,130,170)(H2,131,171)(H2,133,181)(H,140,172)(H,141,183)(H,142,184)(H,143,185)(H,144,186)(H,145,192)(H,146,173)(H,147,174)(H,148,175)(H,149,182)(H,150,187)(H,151,188)(H,152,196)(H,153,198)(H,154,190)(H,155,189)(H,156,191)(H,157,197)(H,158,199)(H,159,193)(H,160,200)(H,161,195)(H,162,194)(H,163,201)(H,177,178)(H,179,180)(H4,134,135,138)(H4,136,137,139)/t69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,104-/m0/s1 | UniProtKB/SwissProt
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by PDSP Ki Database
| |
J Biol Chem 278: 27652-7 (2003)
Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448148
(CHEMBL3122223)Show SMILES CCN(CC)C(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12 Show InChI InChI=1S/C19H23N5O2/c1-5-24(6-2)19(25)17-15-10-11-16(21-18(15)23(4)22-17)26-12-14-9-7-8-13(3)20-14/h7-11H,5-6,12H2,1-4H3 | PDB
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| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240692
(CHEMBL4078588)Show SMILES Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r| Show InChI InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448155
(CHEMBL3122217)Show InChI InChI=1S/C17H17N7O/c1-11-13(8-20-23(11)2)15-16-17(24(3)22-15)21-14(9-19-16)25-10-12-6-4-5-7-18-12/h4-9H,10H2,1-3H3 | PDB
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PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k
BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this
Ligand-Target Pair | |
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