Found 246 hits with Last Name = 'langer' and Initial = 'm' 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 2
(Homo sapiens (Human)) | BDBM85681
(PYY 3-36)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)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](CO)NC(=O)[C@H](CC(C)C)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)N)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/C175H271N51O56/c1-84(2)67-113(154(262)200-103(26-18-60-189-172(180)181)146(254)215-120(75-98-78-188-83-194-98)159(267)214-119(73-96-37-45-101(233)46-38-96)157(265)209-114(68-85(3)4)155(263)216-121(76-130(179)236)160(268)210-116(70-87(7)8)161(269)222-138(88(9)10)167(275)223-139(93(15)230)168(276)206-106(29-21-63-192-175(186)187)144(252)202-108(49-54-129(178)235)149(257)199-105(28-20-62-191-174(184)185)147(255)218-123(171(279)280)74-97-39-47-102(234)48-40-97)211-163(271)124(80-227)219-141(249)90(12)195-152(260)117(71-94-33-41-99(231)42-34-94)213-158(266)118(72-95-35-43-100(232)44-36-95)212-145(253)104(27-19-61-190-173(182)183)201-162(270)125(81-228)220-156(264)115(69-86(5)6)208-151(259)110(52-57-135(242)243)203-150(258)111(53-58-136(244)245)205-166(274)128-32-24-66-226(128)282(281)132(82-229)221-142(250)91(13)196-153(261)122(77-137(246)247)217-148(256)107(50-55-133(238)239)198-131(237)79-193-164(272)126-30-22-64-224(126)169(277)92(14)197-143(251)109(51-56-134(240)241)204-165(273)127-31-23-65-225(127)170(278)112(25-16-17-59-176)207-140(248)89(11)177/h33-48,78,83-93,103-128,132,138-139,227-234H,16-32,49-77,79-82,176-177H2,1-15H3,(H2,178,235)(H2,179,236)(H,188,194)(H,193,272)(H,195,260)(H,196,261)(H,197,251)(H,198,237)(H,199,257)(H,200,262)(H,201,270)(H,202,252)(H,203,258)(H,204,273)(H,205,274)(H,206,276)(H,207,248)(H,208,259)(H,209,265)(H,210,268)(H,211,271)(H,212,253)(H,213,266)(H,214,267)(H,215,254)(H,216,263)(H,217,256)(H,218,255)(H,219,249)(H,220,264)(H,221,250)(H,222,269)(H,223,275)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,132+,138-,139-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 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
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM85679
(CAS_59763-91-6 | PP, human)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C184H285N53O54S2/c1-20-91(10)143(174(285)227-124(83-136(189)247)163(274)213-113(62-73-293-19)157(268)220-119(76-89(6)7)166(277)231-144(97(16)238)175(286)217-114(33-24-66-202-184(197)198)177(288)235-69-27-36-130(235)169(280)214-109(32-23-65-201-183(195)196)153(264)218-116(146(190)257)77-99-39-47-103(240)48-40-99)230-167(278)121(79-101-43-51-105(242)52-44-101)223-154(265)108(31-22-64-200-182(193)194)210-152(263)107(30-21-63-199-181(191)192)211-160(271)117(74-87(2)3)221-165(276)126(85-141(255)256)219-149(260)94(13)204-147(258)93(12)206-158(269)120(78-100-41-49-104(241)50-42-100)222-155(266)110(55-58-133(186)244)209-148(259)95(14)205-151(262)112(61-72-292-18)212-162(273)123(82-135(188)246)224-156(267)111(56-59-138(249)250)215-170(281)131-37-29-71-237(131)180(291)145(98(17)239)232-150(261)96(15)207-159(270)122(81-134(187)245)225-164(275)125(84-140(253)254)208-137(248)86-203-168(279)128-34-25-68-234(128)179(290)127(80-102-45-53-106(243)54-46-102)228-173(284)142(90(8)9)229-172(283)132-38-28-70-236(132)178(289)115(57-60-139(251)252)216-161(272)118(75-88(4)5)226-171(282)129-35-26-67-233(129)176(287)92(11)185/h39-54,87-98,107-132,142-145,238-243H,20-38,55-86,185H2,1-19H3,(H2,186,244)(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,257)(H,203,279)(H,204,258)(H,205,262)(H,206,269)(H,207,270)(H,208,248)(H,209,259)(H,210,263)(H,211,271)(H,212,273)(H,213,274)(H,214,280)(H,215,281)(H,216,272)(H,217,286)(H,218,264)(H,219,260)(H,220,268)(H,221,276)(H,222,266)(H,223,265)(H,224,267)(H,225,275)(H,226,282)(H,227,285)(H,228,284)(H,229,283)(H,230,278)(H,231,277)(H,232,261)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/p+2/t91?,92?,93-,94-,95-,96-,97+,98?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-,145-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 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
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM85680
(PP [cPP(1-7), NPY(19-23), Ala31, Aib32, Gln34], hu...)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#7](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C182H280N58O54S2/c1-15-89(4)140(170(288)226-122(81-135(188)254)161(279)218-115(63-74-296-14)149(267)209-93(8)147(265)234-182(11,12)175(293)230-109(28-19-67-203-179(196)197)153(271)215-111(54-58-131(184)250)154(272)212-108(27-18-66-202-178(194)195)151(269)221-117(143(189)261)76-96-34-44-101(245)45-35-96)233-181(294)240(85-100-42-52-105(249)53-43-100)235-165(283)110(29-20-68-204-180(198)199)214-150(268)107(26-17-65-201-177(192)193)213-158(276)118(75-88(2)3)222-145(263)91(6)208-163(281)125(86-241)228-160(278)120(78-98-38-48-103(247)49-39-98)224-159(277)119(77-97-36-46-102(246)47-37-97)223-152(270)106(25-16-64-200-176(190)191)211-144(262)90(5)206-148(266)114(62-73-295-13)217-155(273)112(55-59-132(185)251)216-156(274)113(57-61-138(257)258)219-168(286)129-32-24-72-239(129)174(292)142(95(10)244)232-146(264)92(7)207-157(275)121(80-134(187)253)225-162(280)123(82-139(259)260)210-136(255)84-205-166(284)127-30-22-70-237(127)173(291)124(79-99-40-50-104(248)51-41-99)227-171(289)141(94(9)243)231-169(287)130-33-23-71-238(130)172(290)116(56-60-133(186)252)220-164(282)126(87-242)229-167(285)128-31-21-69-236(128)137(256)83-183/h34-53,88-95,106-130,140-142,241-249H,15-33,54-87,183H2,1-14H3,(H2,184,250)(H2,185,251)(H2,186,252)(H2,187,253)(H2,188,254)(H2,189,261)(H,205,284)(H,206,266)(H,207,275)(H,208,281)(H,209,267)(H,210,255)(H,211,262)(H,212,272)(H,213,276)(H,214,268)(H,215,271)(H,216,274)(H,217,273)(H,218,279)(H,219,286)(H,220,282)(H,221,269)(H,222,263)(H,223,270)(H,224,277)(H,225,280)(H,226,288)(H,227,289)(H,228,278)(H,229,285)(H,230,293)(H,231,287)(H,232,264)(H,233,294)(H,234,265)(H,235,283)(H,257,258)(H,259,260)(H4,190,191,200)(H4,192,193,201)(H4,194,195,202)(H4,196,197,203)(H4,198,199,204)/p+1/t89?,90-,91-,92-,93-,94?,95?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(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 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (strain A/Brevig Mission/1/1918 ...) | BDBM5024
((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...)Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Victoria
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur... |
Bioorg Med Chem Lett 21: 7137-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM85677
(NPY [hPP(1-17), Ala31,Aib32], human)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C188H290N56O53S/c1-20-94(10)146(177(292)233-129(86-140(193)255)168(283)226-121(76-90(2)3)161(276)214-99(15)152(267)240-188(17,18)182(297)236-115(34-25-70-209-187(203)204)158(273)220-116(59-62-137(190)252)159(274)218-113(32-23-68-207-185(199)200)155(270)224-120(148(194)263)79-101-39-49-106(247)50-40-101)238-170(285)126(82-104-45-55-109(250)56-46-104)228-157(272)114(33-24-69-208-186(201)202)217-154(269)112(31-22-67-206-184(197)198)219-163(278)122(77-91(4)5)225-150(265)97(13)213-171(286)132(89-245)235-166(281)125(81-103-43-53-108(249)54-44-103)229-165(280)124(80-102-41-51-107(248)52-42-102)227-156(271)111(30-21-66-205-183(195)196)216-149(264)96(12)211-153(268)118(65-75-298-19)221-167(282)128(85-139(192)254)230-160(275)117(60-63-142(257)258)222-173(288)135-37-29-74-244(135)181(296)147(100(16)246)239-151(266)98(14)212-162(277)127(84-138(191)253)231-169(284)130(87-144(261)262)215-141(256)88-210-172(287)133-35-26-72-242(133)180(295)131(83-105-47-57-110(251)58-48-105)234-176(291)145(93(8)9)237-175(290)136-38-28-73-243(136)179(294)119(61-64-143(259)260)223-164(279)123(78-92(6)7)232-174(289)134-36-27-71-241(134)178(293)95(11)189/h39-58,90-100,111-136,145-147,245-251H,20-38,59-89,189H2,1-19H3,(H2,190,252)(H2,191,253)(H2,192,254)(H2,193,255)(H2,194,263)(H,210,287)(H,211,268)(H,212,277)(H,213,286)(H,214,276)(H,215,256)(H,216,264)(H,217,269)(H,218,274)(H,219,278)(H,220,273)(H,221,282)(H,222,288)(H,223,279)(H,224,270)(H,225,265)(H,226,283)(H,227,271)(H,228,272)(H,229,280)(H,230,275)(H,231,284)(H,232,289)(H,233,292)(H,234,291)(H,235,281)(H,236,297)(H,237,290)(H,238,285)(H,239,266)(H,240,267)(H,257,258)(H,259,260)(H,261,262)(H4,195,196,205)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/p+2/t94?,95?,96-,97-,98-,99-,100?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,145-,146-,147-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM85679
(CAS_59763-91-6 | PP, human)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C184H285N53O54S2/c1-20-91(10)143(174(285)227-124(83-136(189)247)163(274)213-113(62-73-293-19)157(268)220-119(76-89(6)7)166(277)231-144(97(16)238)175(286)217-114(33-24-66-202-184(197)198)177(288)235-69-27-36-130(235)169(280)214-109(32-23-65-201-183(195)196)153(264)218-116(146(190)257)77-99-39-47-103(240)48-40-99)230-167(278)121(79-101-43-51-105(242)52-44-101)223-154(265)108(31-22-64-200-182(193)194)210-152(263)107(30-21-63-199-181(191)192)211-160(271)117(74-87(2)3)221-165(276)126(85-141(255)256)219-149(260)94(13)204-147(258)93(12)206-158(269)120(78-100-41-49-104(241)50-42-100)222-155(266)110(55-58-133(186)244)209-148(259)95(14)205-151(262)112(61-72-292-18)212-162(273)123(82-135(188)246)224-156(267)111(56-59-138(249)250)215-170(281)131-37-29-71-237(131)180(291)145(98(17)239)232-150(261)96(15)207-159(270)122(81-134(187)245)225-164(275)125(84-140(253)254)208-137(248)86-203-168(279)128-34-25-68-234(128)179(290)127(80-102-45-53-106(243)54-46-102)228-173(284)142(90(8)9)229-172(283)132-38-28-70-236(132)178(289)115(57-60-139(251)252)216-161(272)118(75-88(4)5)226-171(282)129-35-26-67-233(129)176(287)92(11)185/h39-54,87-98,107-132,142-145,238-243H,20-38,55-86,185H2,1-19H3,(H2,186,244)(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,257)(H,203,279)(H,204,258)(H,205,262)(H,206,269)(H,207,270)(H,208,248)(H,209,259)(H,210,263)(H,211,271)(H,212,273)(H,213,274)(H,214,280)(H,215,281)(H,216,272)(H,217,286)(H,218,264)(H,219,260)(H,220,268)(H,221,276)(H,222,266)(H,223,265)(H,224,267)(H,225,275)(H,226,282)(H,227,285)(H,228,284)(H,229,283)(H,230,278)(H,231,277)(H,232,261)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/p+2/t91?,92?,93-,94-,95-,96-,97+,98?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-,145-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | 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
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM85678
(NPY [Ala31, Aib32], porcine)Show SMILES CCC(C)[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C(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(=O)NC(C)(C)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 |@@:8,249| Show InChI InChI=1S/C186H280N56O56/c1-16-93(8)146(175(292)230-126(79-138(190)251)165(282)222-121(72-91(4)5)160(277)210-97(12)151(268)236-186(14,15)180(297)234-114(31-22-66-205-184(199)200)155(272)218-116(56-59-137(189)250)157(274)216-112(29-20-64-203-182(195)196)152(269)220-119(147(192)264)75-100-38-48-106(246)49-39-100)235-185(298)242(86-103-44-54-109(249)55-45-103)237-170(287)125(78-104-84-201-89-207-104)226-154(271)113(30-21-65-204-183(197)198)217-162(279)122(73-92(6)7)221-150(267)95(10)209-168(285)131(87-243)232-164(281)124(77-102-42-52-108(248)53-43-102)225-163(280)123(76-101-40-50-107(247)51-41-101)224-153(270)111(28-19-63-202-181(193)194)214-148(265)94(9)208-159(276)120(71-90(2)3)223-166(283)128(82-144(260)261)228-158(275)117(58-61-142(256)257)215-149(266)96(11)211-172(289)134-33-24-67-238(134)176(293)98(13)212-161(278)127(81-143(258)259)227-156(273)115(57-60-141(254)255)213-140(253)85-206-171(288)133-32-23-69-240(133)179(296)130(80-139(191)252)231-167(284)129(83-145(262)263)229-173(290)136-35-26-70-241(136)178(295)118(27-17-18-62-187)219-169(286)132(88-244)233-174(291)135-34-25-68-239(135)177(294)110(188)74-99-36-46-105(245)47-37-99/h36-55,84,89-98,110-136,146,243-249H,16-35,56-83,85-88,187-188H2,1-15H3,(H2,189,250)(H2,190,251)(H2,191,252)(H2,192,264)(H,201,207)(H,206,288)(H,208,276)(H,209,285)(H,210,277)(H,211,289)(H,212,278)(H,213,253)(H,214,265)(H,215,266)(H,216,274)(H,217,279)(H,218,272)(H,219,286)(H,220,269)(H,221,267)(H,222,282)(H,223,283)(H,224,270)(H,225,280)(H,226,271)(H,227,273)(H,228,275)(H,229,290)(H,230,292)(H,231,284)(H,232,281)(H,233,291)(H,234,297)(H,235,298)(H,236,268)(H,237,287)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,193,194,202)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)/p+1/t93?,94-,95-,96-,97-,98-,110?,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-,146-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (strain A/Brevig Mission/1/1918 ...) | BDBM50359308
(CHEMBL1928608)Show SMILES CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C14H26N2O4/c1-4-8(5-2)12(16-7(3)17)11-10(15)6-9(13(11)18)14(19)20/h8-13,18H,4-6,15H2,1-3H3,(H,16,17)(H,19,20)/t9-,10+,11+,12-,13+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Victoria
Curated by ChEMBL
| Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur... |
Bioorg Med Chem Lett 21: 7137-41 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM85681
(PYY 3-36)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)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](CO)NC(=O)[C@H](CC(C)C)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)N)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/C175H271N51O56/c1-84(2)67-113(154(262)200-103(26-18-60-189-172(180)181)146(254)215-120(75-98-78-188-83-194-98)159(267)214-119(73-96-37-45-101(233)46-38-96)157(265)209-114(68-85(3)4)155(263)216-121(76-130(179)236)160(268)210-116(70-87(7)8)161(269)222-138(88(9)10)167(275)223-139(93(15)230)168(276)206-106(29-21-63-192-175(186)187)144(252)202-108(49-54-129(178)235)149(257)199-105(28-20-62-191-174(184)185)147(255)218-123(171(279)280)74-97-39-47-102(234)48-40-97)211-163(271)124(80-227)219-141(249)90(12)195-152(260)117(71-94-33-41-99(231)42-34-94)213-158(266)118(72-95-35-43-100(232)44-36-95)212-145(253)104(27-19-61-190-173(182)183)201-162(270)125(81-228)220-156(264)115(69-86(5)6)208-151(259)110(52-57-135(242)243)203-150(258)111(53-58-136(244)245)205-166(274)128-32-24-66-226(128)282(281)132(82-229)221-142(250)91(13)196-153(261)122(77-137(246)247)217-148(256)107(50-55-133(238)239)198-131(237)79-193-164(272)126-30-22-64-224(126)169(277)92(14)197-143(251)109(51-56-134(240)241)204-165(273)127-31-23-65-225(127)170(278)112(25-16-17-59-176)207-140(248)89(11)177/h33-48,78,83-93,103-128,132,138-139,227-234H,16-32,49-77,79-82,176-177H2,1-15H3,(H2,178,235)(H2,179,236)(H,188,194)(H,193,272)(H,195,260)(H,196,261)(H,197,251)(H,198,237)(H,199,257)(H,200,262)(H,201,270)(H,202,252)(H,203,258)(H,204,273)(H,205,274)(H,206,276)(H,207,248)(H,208,259)(H,209,265)(H,210,268)(H,211,271)(H,212,253)(H,213,266)(H,214,267)(H,215,254)(H,216,263)(H,217,256)(H,218,255)(H,219,249)(H,220,264)(H,221,250)(H,222,269)(H,223,275)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,132+,138-,139-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM85681
(PYY 3-36)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)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](CO)NC(=O)[C@H](CC(C)C)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)N)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/C175H271N51O56/c1-84(2)67-113(154(262)200-103(26-18-60-189-172(180)181)146(254)215-120(75-98-78-188-83-194-98)159(267)214-119(73-96-37-45-101(233)46-38-96)157(265)209-114(68-85(3)4)155(263)216-121(76-130(179)236)160(268)210-116(70-87(7)8)161(269)222-138(88(9)10)167(275)223-139(93(15)230)168(276)206-106(29-21-63-192-175(186)187)144(252)202-108(49-54-129(178)235)149(257)199-105(28-20-62-191-174(184)185)147(255)218-123(171(279)280)74-97-39-47-102(234)48-40-97)211-163(271)124(80-227)219-141(249)90(12)195-152(260)117(71-94-33-41-99(231)42-34-94)213-158(266)118(72-95-35-43-100(232)44-36-95)212-145(253)104(27-19-61-190-173(182)183)201-162(270)125(81-228)220-156(264)115(69-86(5)6)208-151(259)110(52-57-135(242)243)203-150(258)111(53-58-136(244)245)205-166(274)128-32-24-66-226(128)282(281)132(82-229)221-142(250)91(13)196-153(261)122(77-137(246)247)217-148(256)107(50-55-133(238)239)198-131(237)79-193-164(272)126-30-22-64-224(126)169(277)92(14)197-143(251)109(51-56-134(240)241)204-165(273)127-31-23-65-225(127)170(278)112(25-16-17-59-176)207-140(248)89(11)177/h33-48,78,83-93,103-128,132,138-139,227-234H,16-32,49-77,79-82,176-177H2,1-15H3,(H2,178,235)(H2,179,236)(H,188,194)(H,193,272)(H,195,260)(H,196,261)(H,197,251)(H,198,237)(H,199,257)(H,200,262)(H,201,270)(H,202,252)(H,203,258)(H,204,273)(H,205,274)(H,206,276)(H,207,248)(H,208,259)(H,209,265)(H,210,268)(H,211,271)(H,212,253)(H,213,266)(H,214,267)(H,215,254)(H,216,263)(H,217,256)(H,218,255)(H,219,249)(H,220,264)(H,221,250)(H,222,269)(H,223,275)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,132+,138-,139-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM84997
(NPY D-Trp32 | NPY D-Trp32, human, rat | NPY D-Trp3...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[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@@H](C)CC)C(=O)N[C@H](CC1CNc2ccccc12)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/C196H290N56O56S/c1-14-98(7)156(187(303)242-134(83-109-90-216-118-29-17-16-28-116(109)118)174(290)228-120(32-21-68-213-194(205)206)163(279)229-124(59-62-147(199)260)168(284)226-121(33-22-69-214-195(207)208)164(280)232-128(158(202)274)79-105-41-51-112(256)52-42-105)247-179(295)130(77-97(5)6)234-176(292)136(85-148(200)261)243-188(304)157(99(8)15-2)248-180(296)133(82-108-47-57-115(259)58-48-108)237-175(291)135(84-110-91-211-95-218-110)238-166(282)122(34-23-70-215-196(209)210)227-171(287)129(76-96(3)4)233-161(277)101(10)220-181(297)141(93-253)245-173(289)132(81-107-45-55-114(258)56-46-107)236-172(288)131(80-106-43-53-113(257)54-44-106)235-165(281)119(31-20-67-212-193(203)204)224-159(275)100(9)219-162(278)126(65-75-309-13)230-177(293)138(88-154(270)271)240-169(285)125(61-64-152(266)267)225-160(276)102(11)221-184(300)144-36-25-71-249(144)189(305)103(12)222-170(286)137(87-153(268)269)239-167(283)123(60-63-151(264)265)223-150(263)92-217-183(299)143-35-24-73-251(143)192(308)140(86-149(201)262)244-178(294)139(89-155(272)273)241-185(301)146-38-27-74-252(146)191(307)127(30-18-19-66-197)231-182(298)142(94-254)246-186(302)145-37-26-72-250(145)190(306)117(198)78-104-39-49-111(255)50-40-104/h16-17,28-29,39-58,91,95-103,109,117,119-146,156-157,216,253-259H,14-15,18-27,30-38,59-90,92-94,197-198H2,1-13H3,(H2,199,260)(H2,200,261)(H2,201,262)(H2,202,274)(H,211,218)(H,217,299)(H,219,278)(H,220,297)(H,221,300)(H,222,286)(H,223,263)(H,224,275)(H,225,276)(H,226,284)(H,227,287)(H,228,290)(H,229,279)(H,230,293)(H,231,298)(H,232,280)(H,233,277)(H,234,292)(H,235,281)(H,236,288)(H,237,291)(H,238,282)(H,239,283)(H,240,285)(H,241,301)(H,242,303)(H,243,304)(H,244,294)(H,245,289)(H,246,302)(H,247,295)(H,248,296)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H4,203,204,212)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)/t98-,99-,100-,101-,102-,103-,109?,117-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,156-,157-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM84997
(NPY D-Trp32 | NPY D-Trp32, human, rat | NPY D-Trp3...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[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@@H](C)CC)C(=O)N[C@H](CC1CNc2ccccc12)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/C196H290N56O56S/c1-14-98(7)156(187(303)242-134(83-109-90-216-118-29-17-16-28-116(109)118)174(290)228-120(32-21-68-213-194(205)206)163(279)229-124(59-62-147(199)260)168(284)226-121(33-22-69-214-195(207)208)164(280)232-128(158(202)274)79-105-41-51-112(256)52-42-105)247-179(295)130(77-97(5)6)234-176(292)136(85-148(200)261)243-188(304)157(99(8)15-2)248-180(296)133(82-108-47-57-115(259)58-48-108)237-175(291)135(84-110-91-211-95-218-110)238-166(282)122(34-23-70-215-196(209)210)227-171(287)129(76-96(3)4)233-161(277)101(10)220-181(297)141(93-253)245-173(289)132(81-107-45-55-114(258)56-46-107)236-172(288)131(80-106-43-53-113(257)54-44-106)235-165(281)119(31-20-67-212-193(203)204)224-159(275)100(9)219-162(278)126(65-75-309-13)230-177(293)138(88-154(270)271)240-169(285)125(61-64-152(266)267)225-160(276)102(11)221-184(300)144-36-25-71-249(144)189(305)103(12)222-170(286)137(87-153(268)269)239-167(283)123(60-63-151(264)265)223-150(263)92-217-183(299)143-35-24-73-251(143)192(308)140(86-149(201)262)244-178(294)139(89-155(272)273)241-185(301)146-38-27-74-252(146)191(307)127(30-18-19-66-197)231-182(298)142(94-254)246-186(302)145-37-26-72-250(145)190(306)117(198)78-104-39-49-111(255)50-40-104/h16-17,28-29,39-58,91,95-103,109,117,119-146,156-157,216,253-259H,14-15,18-27,30-38,59-90,92-94,197-198H2,1-13H3,(H2,199,260)(H2,200,261)(H2,201,262)(H2,202,274)(H,211,218)(H,217,299)(H,219,278)(H,220,297)(H,221,300)(H,222,286)(H,223,263)(H,224,275)(H,225,276)(H,226,284)(H,227,287)(H,228,290)(H,229,279)(H,230,293)(H,231,298)(H,232,280)(H,233,277)(H,234,292)(H,235,281)(H,236,288)(H,237,291)(H,238,282)(H,239,283)(H,240,285)(H,241,301)(H,242,303)(H,243,304)(H,244,294)(H,245,289)(H,246,302)(H,247,295)(H,248,296)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H4,203,204,212)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)/t98-,99-,100-,101-,102-,103-,109?,117-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,156-,157-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM85680
(PP [cPP(1-7), NPY(19-23), Ala31, Aib32, Gln34], hu...)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#7](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C182H280N58O54S2/c1-15-89(4)140(170(288)226-122(81-135(188)254)161(279)218-115(63-74-296-14)149(267)209-93(8)147(265)234-182(11,12)175(293)230-109(28-19-67-203-179(196)197)153(271)215-111(54-58-131(184)250)154(272)212-108(27-18-66-202-178(194)195)151(269)221-117(143(189)261)76-96-34-44-101(245)45-35-96)233-181(294)240(85-100-42-52-105(249)53-43-100)235-165(283)110(29-20-68-204-180(198)199)214-150(268)107(26-17-65-201-177(192)193)213-158(276)118(75-88(2)3)222-145(263)91(6)208-163(281)125(86-241)228-160(278)120(78-98-38-48-103(247)49-39-98)224-159(277)119(77-97-36-46-102(246)47-37-97)223-152(270)106(25-16-64-200-176(190)191)211-144(262)90(5)206-148(266)114(62-73-295-13)217-155(273)112(55-59-132(185)251)216-156(274)113(57-61-138(257)258)219-168(286)129-32-24-72-239(129)174(292)142(95(10)244)232-146(264)92(7)207-157(275)121(80-134(187)253)225-162(280)123(82-139(259)260)210-136(255)84-205-166(284)127-30-22-70-237(127)173(291)124(79-99-40-50-104(248)51-41-99)227-171(289)141(94(9)243)231-169(287)130-33-23-71-238(130)172(290)116(56-60-133(186)252)220-164(282)126(87-242)229-167(285)128-31-21-69-236(128)137(256)83-183/h34-53,88-95,106-130,140-142,241-249H,15-33,54-87,183H2,1-14H3,(H2,184,250)(H2,185,251)(H2,186,252)(H2,187,253)(H2,188,254)(H2,189,261)(H,205,284)(H,206,266)(H,207,275)(H,208,281)(H,209,267)(H,210,255)(H,211,262)(H,212,272)(H,213,276)(H,214,268)(H,215,271)(H,216,274)(H,217,273)(H,218,279)(H,219,286)(H,220,282)(H,221,269)(H,222,263)(H,223,270)(H,224,277)(H,225,280)(H,226,288)(H,227,289)(H,228,278)(H,229,285)(H,230,293)(H,231,287)(H,232,264)(H,233,294)(H,234,265)(H,235,283)(H,257,258)(H,259,260)(H4,190,191,200)(H4,192,193,201)(H4,194,195,202)(H4,196,197,203)(H4,198,199,204)/p+1/t89?,90-,91-,92-,93-,94?,95?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307347
(CHEMBL1783614)Show SMILES COc1cc2nc(\C=C\c3cccnc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C24H30N6O4S/c1-33-21-14-19-20(15-22(21)34-2)28-23(6-5-18-4-3-10-26-16-18)29-24(19)30-12-8-17(9-13-30)7-11-27-35(25,31)32/h3-6,10,14-17,27H,7-9,11-13H2,1-2H3,(H2,25,31,32)/b6-5+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307126
(CHEMBL4160816)Show SMILES COc1cc2nc(\C=C\c3ccccn3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C24H30N6O4S/c1-33-21-15-19-20(16-22(21)34-2)28-23(7-6-18-5-3-4-11-26-18)29-24(19)30-13-9-17(10-14-30)8-12-27-35(25,31)32/h3-7,11,15-17,27H,8-10,12-14H2,1-2H3,(H2,25,31,32)/b7-6+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306037
(CHEMBL4163119)Show SMILES COc1cc2nc(CC3OC(=O)c4ccccc34)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C26H31N5O6S/c1-35-22-13-19-20(14-23(22)36-2)29-24(15-21-17-5-3-4-6-18(17)26(32)37-21)30-25(19)31-11-8-16(9-12-31)7-10-28-38(27,33)34/h3-6,13-14,16,21,28H,7-12,15H2,1-2H3,(H2,27,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306044
(CHEMBL4163923)Show SMILES COc1cccc(\C=C\c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)c1 Show InChI InChI=1S/C26H33N5O5S/c1-34-20-6-4-5-19(15-20)7-8-25-29-22-17-24(36-3)23(35-2)16-21(22)26(30-25)31-13-10-18(11-14-31)9-12-28-37(27,32)33/h4-8,15-18,28H,9-14H2,1-3H3,(H2,27,32,33)/b8-7+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM85677
(NPY [hPP(1-17), Ala31,Aib32], human)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C188H290N56O53S/c1-20-94(10)146(177(292)233-129(86-140(193)255)168(283)226-121(76-90(2)3)161(276)214-99(15)152(267)240-188(17,18)182(297)236-115(34-25-70-209-187(203)204)158(273)220-116(59-62-137(190)252)159(274)218-113(32-23-68-207-185(199)200)155(270)224-120(148(194)263)79-101-39-49-106(247)50-40-101)238-170(285)126(82-104-45-55-109(250)56-46-104)228-157(272)114(33-24-69-208-186(201)202)217-154(269)112(31-22-67-206-184(197)198)219-163(278)122(77-91(4)5)225-150(265)97(13)213-171(286)132(89-245)235-166(281)125(81-103-43-53-108(249)54-44-103)229-165(280)124(80-102-41-51-107(248)52-42-102)227-156(271)111(30-21-66-205-183(195)196)216-149(264)96(12)211-153(268)118(65-75-298-19)221-167(282)128(85-139(192)254)230-160(275)117(60-63-142(257)258)222-173(288)135-37-29-74-244(135)181(296)147(100(16)246)239-151(266)98(14)212-162(277)127(84-138(191)253)231-169(284)130(87-144(261)262)215-141(256)88-210-172(287)133-35-26-72-242(133)180(295)131(83-105-47-57-110(251)58-48-105)234-176(291)145(93(8)9)237-175(290)136-38-28-73-243(136)179(294)119(61-64-143(259)260)223-164(279)123(78-92(6)7)232-174(289)134-36-27-71-241(134)178(293)95(11)189/h39-58,90-100,111-136,145-147,245-251H,20-38,59-89,189H2,1-19H3,(H2,190,252)(H2,191,253)(H2,192,254)(H2,193,255)(H2,194,263)(H,210,287)(H,211,268)(H,212,277)(H,213,286)(H,214,276)(H,215,256)(H,216,264)(H,217,269)(H,218,274)(H,219,278)(H,220,273)(H,221,282)(H,222,288)(H,223,279)(H,224,270)(H,225,265)(H,226,283)(H,227,271)(H,228,272)(H,229,280)(H,230,275)(H,231,284)(H,232,289)(H,233,292)(H,234,291)(H,235,281)(H,236,297)(H,237,290)(H,238,285)(H,239,266)(H,240,267)(H,257,258)(H,259,260)(H,261,262)(H4,195,196,205)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/p+2/t94?,95?,96-,97-,98-,99-,100?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,145-,146-,147-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM85679
(CAS_59763-91-6 | PP, human)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C184H285N53O54S2/c1-20-91(10)143(174(285)227-124(83-136(189)247)163(274)213-113(62-73-293-19)157(268)220-119(76-89(6)7)166(277)231-144(97(16)238)175(286)217-114(33-24-66-202-184(197)198)177(288)235-69-27-36-130(235)169(280)214-109(32-23-65-201-183(195)196)153(264)218-116(146(190)257)77-99-39-47-103(240)48-40-99)230-167(278)121(79-101-43-51-105(242)52-44-101)223-154(265)108(31-22-64-200-182(193)194)210-152(263)107(30-21-63-199-181(191)192)211-160(271)117(74-87(2)3)221-165(276)126(85-141(255)256)219-149(260)94(13)204-147(258)93(12)206-158(269)120(78-100-41-49-104(241)50-42-100)222-155(266)110(55-58-133(186)244)209-148(259)95(14)205-151(262)112(61-72-292-18)212-162(273)123(82-135(188)246)224-156(267)111(56-59-138(249)250)215-170(281)131-37-29-71-237(131)180(291)145(98(17)239)232-150(261)96(15)207-159(270)122(81-134(187)245)225-164(275)125(84-140(253)254)208-137(248)86-203-168(279)128-34-25-68-234(128)179(290)127(80-102-45-53-106(243)54-46-102)228-173(284)142(90(8)9)229-172(283)132-38-28-70-236(132)178(289)115(57-60-139(251)252)216-161(272)118(75-88(4)5)226-171(282)129-35-26-67-233(129)176(287)92(11)185/h39-54,87-98,107-132,142-145,238-243H,20-38,55-86,185H2,1-19H3,(H2,186,244)(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,257)(H,203,279)(H,204,258)(H,205,262)(H,206,269)(H,207,270)(H,208,248)(H,209,259)(H,210,263)(H,211,271)(H,212,273)(H,213,274)(H,214,280)(H,215,281)(H,216,272)(H,217,286)(H,218,264)(H,219,260)(H,220,268)(H,221,276)(H,222,266)(H,223,265)(H,224,267)(H,225,275)(H,226,282)(H,227,285)(H,228,284)(H,229,283)(H,230,278)(H,231,277)(H,232,261)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/p+2/t91?,92?,93-,94-,95-,96-,97+,98?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-,145-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307248
(CHEMBL4174875)Show SMILES COc1cc2nc(\C=C\c3ccccc3F)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C25H30FN5O4S/c1-34-22-15-19-21(16-23(22)35-2)29-24(8-7-18-5-3-4-6-20(18)26)30-25(19)31-13-10-17(11-14-31)9-12-28-36(27,32)33/h3-8,15-17,28H,9-14H2,1-2H3,(H2,27,32,33)/b8-7+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 211 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307128
(CHEMBL4164216)Show SMILES COc1cc2nc(\C=C\c3ccncc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C24H30N6O4S/c1-33-21-15-19-20(16-22(21)34-2)28-23(4-3-17-5-10-26-11-6-17)29-24(19)30-13-8-18(9-14-30)7-12-27-35(25,31)32/h3-6,10-11,15-16,18,27H,7-9,12-14H2,1-2H3,(H2,25,31,32)/b4-3+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 218 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306578
(CHEMBL4166272)Show SMILES COc1ccc(\C=C\c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)cc1 Show InChI InChI=1S/C26H33N5O5S/c1-34-20-7-4-18(5-8-20)6-9-25-29-22-17-24(36-3)23(35-2)16-21(22)26(30-25)31-14-11-19(12-15-31)10-13-28-37(27,32)33/h4-9,16-17,19,28H,10-15H2,1-3H3,(H2,27,32,33)/b9-6+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307116
(CHEMBL4162412)Show InChI InChI=1S/C16H23N5O3S/c1-24-13-2-3-15-14(10-13)16(19-11-18-15)21-8-5-12(6-9-21)4-7-20-25(17,22)23/h2-3,10-12,20H,4-9H2,1H3,(H2,17,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 242 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306038
(CHEMBL4159456)Show SMILES COC(=O)c1cccc(\C=C\c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)c1 Show InChI InChI=1S/C27H33N5O6S/c1-36-23-16-21-22(17-24(23)37-2)30-25(8-7-19-5-4-6-20(15-19)27(33)38-3)31-26(21)32-13-10-18(11-14-32)9-12-29-39(28,34)35/h4-8,15-18,29H,9-14H2,1-3H3,(H2,28,34,35)/b8-7+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 297 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306040
(CHEMBL4174575)Show SMILES COc1cc2nc(\C=C\c3ccccc3OC)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C26H33N5O5S/c1-34-22-7-5-4-6-19(22)8-9-25-29-21-17-24(36-3)23(35-2)16-20(21)26(30-25)31-14-11-18(12-15-31)10-13-28-37(27,32)33/h4-9,16-18,28H,10-15H2,1-3H3,(H2,27,32,33)/b9-8+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306036
(CHEMBL4171038)Show SMILES COc1cc2nc(CCc3ccc(F)cc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C25H32FN5O4S/c1-34-22-15-20-21(16-23(22)35-2)29-24(8-5-17-3-6-19(26)7-4-17)30-25(20)31-13-10-18(11-14-31)9-12-28-36(27,32)33/h3-4,6-7,15-16,18,28H,5,8-14H2,1-2H3,(H2,27,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 366 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306035
(CHEMBL4159758)Show SMILES COc1cc2nc(\C=C\c3ccc(F)cc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C25H30FN5O4S/c1-34-22-15-20-21(16-23(22)35-2)29-24(8-5-17-3-6-19(26)7-4-17)30-25(20)31-13-10-18(11-14-31)9-12-28-36(27,32)33/h3-8,15-16,18,28H,9-14H2,1-2H3,(H2,27,32,33)/b8-5+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 465 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM85678
(NPY [Ala31, Aib32], porcine)Show SMILES CCC(C)[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C(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(=O)NC(C)(C)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 |@@:8,249| Show InChI InChI=1S/C186H280N56O56/c1-16-93(8)146(175(292)230-126(79-138(190)251)165(282)222-121(72-91(4)5)160(277)210-97(12)151(268)236-186(14,15)180(297)234-114(31-22-66-205-184(199)200)155(272)218-116(56-59-137(189)250)157(274)216-112(29-20-64-203-182(195)196)152(269)220-119(147(192)264)75-100-38-48-106(246)49-39-100)235-185(298)242(86-103-44-54-109(249)55-45-103)237-170(287)125(78-104-84-201-89-207-104)226-154(271)113(30-21-65-204-183(197)198)217-162(279)122(73-92(6)7)221-150(267)95(10)209-168(285)131(87-243)232-164(281)124(77-102-42-52-108(248)53-43-102)225-163(280)123(76-101-40-50-107(247)51-41-101)224-153(270)111(28-19-63-202-181(193)194)214-148(265)94(9)208-159(276)120(71-90(2)3)223-166(283)128(82-144(260)261)228-158(275)117(58-61-142(256)257)215-149(266)96(11)211-172(289)134-33-24-67-238(134)176(293)98(13)212-161(278)127(81-143(258)259)227-156(273)115(57-60-141(254)255)213-140(253)85-206-171(288)133-32-23-69-240(133)179(296)130(80-139(191)252)231-167(284)129(83-145(262)263)229-173(290)136-35-26-70-241(136)178(295)118(27-17-18-62-187)219-169(286)132(88-244)233-174(291)135-34-25-68-239(135)177(294)110(188)74-99-36-46-105(245)47-37-99/h36-55,84,89-98,110-136,146,243-249H,16-35,56-83,85-88,187-188H2,1-15H3,(H2,189,250)(H2,190,251)(H2,191,252)(H2,192,264)(H,201,207)(H,206,288)(H,208,276)(H,209,285)(H,210,277)(H,211,289)(H,212,278)(H,213,253)(H,214,265)(H,215,266)(H,216,274)(H,217,279)(H,218,272)(H,219,286)(H,220,269)(H,221,267)(H,222,282)(H,223,283)(H,224,270)(H,225,280)(H,226,271)(H,227,273)(H,228,275)(H,229,290)(H,230,292)(H,231,284)(H,232,281)(H,233,291)(H,234,297)(H,235,298)(H,236,268)(H,237,287)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,193,194,202)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)/p+1/t93?,94-,95-,96-,97-,98-,110?,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-,146-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM85680
(PP [cPP(1-7), NPY(19-23), Ala31, Aib32, Gln34], hu...)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#7](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C182H280N58O54S2/c1-15-89(4)140(170(288)226-122(81-135(188)254)161(279)218-115(63-74-296-14)149(267)209-93(8)147(265)234-182(11,12)175(293)230-109(28-19-67-203-179(196)197)153(271)215-111(54-58-131(184)250)154(272)212-108(27-18-66-202-178(194)195)151(269)221-117(143(189)261)76-96-34-44-101(245)45-35-96)233-181(294)240(85-100-42-52-105(249)53-43-100)235-165(283)110(29-20-68-204-180(198)199)214-150(268)107(26-17-65-201-177(192)193)213-158(276)118(75-88(2)3)222-145(263)91(6)208-163(281)125(86-241)228-160(278)120(78-98-38-48-103(247)49-39-98)224-159(277)119(77-97-36-46-102(246)47-37-97)223-152(270)106(25-16-64-200-176(190)191)211-144(262)90(5)206-148(266)114(62-73-295-13)217-155(273)112(55-59-132(185)251)216-156(274)113(57-61-138(257)258)219-168(286)129-32-24-72-239(129)174(292)142(95(10)244)232-146(264)92(7)207-157(275)121(80-134(187)253)225-162(280)123(82-139(259)260)210-136(255)84-205-166(284)127-30-22-70-237(127)173(291)124(79-99-40-50-104(248)51-41-99)227-171(289)141(94(9)243)231-169(287)130-33-23-71-238(130)172(290)116(56-60-133(186)252)220-164(282)126(87-242)229-167(285)128-31-21-69-236(128)137(256)83-183/h34-53,88-95,106-130,140-142,241-249H,15-33,54-87,183H2,1-14H3,(H2,184,250)(H2,185,251)(H2,186,252)(H2,187,253)(H2,188,254)(H2,189,261)(H,205,284)(H,206,266)(H,207,275)(H,208,281)(H,209,267)(H,210,255)(H,211,262)(H,212,272)(H,213,276)(H,214,268)(H,215,271)(H,216,274)(H,217,273)(H,218,279)(H,219,286)(H,220,282)(H,221,269)(H,222,263)(H,223,270)(H,224,277)(H,225,280)(H,226,288)(H,227,289)(H,228,278)(H,229,285)(H,230,293)(H,231,287)(H,232,264)(H,233,294)(H,234,265)(H,235,283)(H,257,258)(H,259,260)(H4,190,191,200)(H4,192,193,201)(H4,194,195,202)(H4,196,197,203)(H4,198,199,204)/p+1/t89?,90-,91-,92-,93-,94?,95?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM85677
(NPY [hPP(1-17), Ala31,Aib32], human)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C188H290N56O53S/c1-20-94(10)146(177(292)233-129(86-140(193)255)168(283)226-121(76-90(2)3)161(276)214-99(15)152(267)240-188(17,18)182(297)236-115(34-25-70-209-187(203)204)158(273)220-116(59-62-137(190)252)159(274)218-113(32-23-68-207-185(199)200)155(270)224-120(148(194)263)79-101-39-49-106(247)50-40-101)238-170(285)126(82-104-45-55-109(250)56-46-104)228-157(272)114(33-24-69-208-186(201)202)217-154(269)112(31-22-67-206-184(197)198)219-163(278)122(77-91(4)5)225-150(265)97(13)213-171(286)132(89-245)235-166(281)125(81-103-43-53-108(249)54-44-103)229-165(280)124(80-102-41-51-107(248)52-42-102)227-156(271)111(30-21-66-205-183(195)196)216-149(264)96(12)211-153(268)118(65-75-298-19)221-167(282)128(85-139(192)254)230-160(275)117(60-63-142(257)258)222-173(288)135-37-29-74-244(135)181(296)147(100(16)246)239-151(266)98(14)212-162(277)127(84-138(191)253)231-169(284)130(87-144(261)262)215-141(256)88-210-172(287)133-35-26-72-242(133)180(295)131(83-105-47-57-110(251)58-48-105)234-176(291)145(93(8)9)237-175(290)136-38-28-73-243(136)179(294)119(61-64-143(259)260)223-164(279)123(78-92(6)7)232-174(289)134-36-27-71-241(134)178(293)95(11)189/h39-58,90-100,111-136,145-147,245-251H,20-38,59-89,189H2,1-19H3,(H2,190,252)(H2,191,253)(H2,192,254)(H2,193,255)(H2,194,263)(H,210,287)(H,211,268)(H,212,277)(H,213,286)(H,214,276)(H,215,256)(H,216,264)(H,217,269)(H,218,274)(H,219,278)(H,220,273)(H,221,282)(H,222,288)(H,223,279)(H,224,270)(H,225,265)(H,226,283)(H,227,271)(H,228,272)(H,229,280)(H,230,275)(H,231,284)(H,232,289)(H,233,292)(H,234,291)(H,235,281)(H,236,297)(H,237,290)(H,238,285)(H,239,266)(H,240,267)(H,257,258)(H,259,260)(H,261,262)(H4,195,196,205)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/p+2/t94?,95?,96-,97-,98-,99-,100?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,145-,146-,147-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM85680
(PP [cPP(1-7), NPY(19-23), Ala31, Aib32, Gln34], hu...)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#7](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C182H280N58O54S2/c1-15-89(4)140(170(288)226-122(81-135(188)254)161(279)218-115(63-74-296-14)149(267)209-93(8)147(265)234-182(11,12)175(293)230-109(28-19-67-203-179(196)197)153(271)215-111(54-58-131(184)250)154(272)212-108(27-18-66-202-178(194)195)151(269)221-117(143(189)261)76-96-34-44-101(245)45-35-96)233-181(294)240(85-100-42-52-105(249)53-43-100)235-165(283)110(29-20-68-204-180(198)199)214-150(268)107(26-17-65-201-177(192)193)213-158(276)118(75-88(2)3)222-145(263)91(6)208-163(281)125(86-241)228-160(278)120(78-98-38-48-103(247)49-39-98)224-159(277)119(77-97-36-46-102(246)47-37-97)223-152(270)106(25-16-64-200-176(190)191)211-144(262)90(5)206-148(266)114(62-73-295-13)217-155(273)112(55-59-132(185)251)216-156(274)113(57-61-138(257)258)219-168(286)129-32-24-72-239(129)174(292)142(95(10)244)232-146(264)92(7)207-157(275)121(80-134(187)253)225-162(280)123(82-139(259)260)210-136(255)84-205-166(284)127-30-22-70-237(127)173(291)124(79-99-40-50-104(248)51-41-99)227-171(289)141(94(9)243)231-169(287)130-33-23-71-238(130)172(290)116(56-60-133(186)252)220-164(282)126(87-242)229-167(285)128-31-21-69-236(128)137(256)83-183/h34-53,88-95,106-130,140-142,241-249H,15-33,54-87,183H2,1-14H3,(H2,184,250)(H2,185,251)(H2,186,252)(H2,187,253)(H2,188,254)(H2,189,261)(H,205,284)(H,206,266)(H,207,275)(H,208,281)(H,209,267)(H,210,255)(H,211,262)(H,212,272)(H,213,276)(H,214,268)(H,215,271)(H,216,274)(H,217,273)(H,218,279)(H,219,286)(H,220,282)(H,221,269)(H,222,263)(H,223,270)(H,224,277)(H,225,280)(H,226,288)(H,227,289)(H,228,278)(H,229,285)(H,230,293)(H,231,287)(H,232,264)(H,233,294)(H,234,265)(H,235,283)(H,257,258)(H,259,260)(H4,190,191,200)(H4,192,193,201)(H4,194,195,202)(H4,196,197,203)(H4,198,199,204)/p+1/t89?,90-,91-,92-,93-,94?,95?,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307124
(CHEMBL4168465)Show InChI InChI=1S/C17H24N4O2/c1-22-15-9-13-14(10-16(15)23-2)19-11-20-17(13)21-7-4-12(3-6-18)5-8-21/h9-12H,3-8,18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 699 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM85678
(NPY [Ala31, Aib32], porcine)Show SMILES CCC(C)[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C(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(=O)NC(C)(C)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 |@@:8,249| Show InChI InChI=1S/C186H280N56O56/c1-16-93(8)146(175(292)230-126(79-138(190)251)165(282)222-121(72-91(4)5)160(277)210-97(12)151(268)236-186(14,15)180(297)234-114(31-22-66-205-184(199)200)155(272)218-116(56-59-137(189)250)157(274)216-112(29-20-64-203-182(195)196)152(269)220-119(147(192)264)75-100-38-48-106(246)49-39-100)235-185(298)242(86-103-44-54-109(249)55-45-103)237-170(287)125(78-104-84-201-89-207-104)226-154(271)113(30-21-65-204-183(197)198)217-162(279)122(73-92(6)7)221-150(267)95(10)209-168(285)131(87-243)232-164(281)124(77-102-42-52-108(248)53-43-102)225-163(280)123(76-101-40-50-107(247)51-41-101)224-153(270)111(28-19-63-202-181(193)194)214-148(265)94(9)208-159(276)120(71-90(2)3)223-166(283)128(82-144(260)261)228-158(275)117(58-61-142(256)257)215-149(266)96(11)211-172(289)134-33-24-67-238(134)176(293)98(13)212-161(278)127(81-143(258)259)227-156(273)115(57-60-141(254)255)213-140(253)85-206-171(288)133-32-23-69-240(133)179(296)130(80-139(191)252)231-167(284)129(83-145(262)263)229-173(290)136-35-26-70-241(136)178(295)118(27-17-18-62-187)219-169(286)132(88-244)233-174(291)135-34-25-68-239(135)177(294)110(188)74-99-36-46-105(245)47-37-99/h36-55,84,89-98,110-136,146,243-249H,16-35,56-83,85-88,187-188H2,1-15H3,(H2,189,250)(H2,190,251)(H2,191,252)(H2,192,264)(H,201,207)(H,206,288)(H,208,276)(H,209,285)(H,210,277)(H,211,289)(H,212,278)(H,213,253)(H,214,265)(H,215,266)(H,216,274)(H,217,279)(H,218,272)(H,219,286)(H,220,269)(H,221,267)(H,222,282)(H,223,283)(H,224,270)(H,225,280)(H,226,271)(H,227,273)(H,228,275)(H,229,290)(H,230,292)(H,231,284)(H,232,281)(H,233,291)(H,234,297)(H,235,298)(H,236,268)(H,237,287)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,193,194,202)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)/p+1/t93?,94-,95-,96-,97-,98-,110?,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-,146-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM85681
(PYY 3-36)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)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](CO)NC(=O)[C@H](CC(C)C)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)N)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/C175H271N51O56/c1-84(2)67-113(154(262)200-103(26-18-60-189-172(180)181)146(254)215-120(75-98-78-188-83-194-98)159(267)214-119(73-96-37-45-101(233)46-38-96)157(265)209-114(68-85(3)4)155(263)216-121(76-130(179)236)160(268)210-116(70-87(7)8)161(269)222-138(88(9)10)167(275)223-139(93(15)230)168(276)206-106(29-21-63-192-175(186)187)144(252)202-108(49-54-129(178)235)149(257)199-105(28-20-62-191-174(184)185)147(255)218-123(171(279)280)74-97-39-47-102(234)48-40-97)211-163(271)124(80-227)219-141(249)90(12)195-152(260)117(71-94-33-41-99(231)42-34-94)213-158(266)118(72-95-35-43-100(232)44-36-95)212-145(253)104(27-19-61-190-173(182)183)201-162(270)125(81-228)220-156(264)115(69-86(5)6)208-151(259)110(52-57-135(242)243)203-150(258)111(53-58-136(244)245)205-166(274)128-32-24-66-226(128)282(281)132(82-229)221-142(250)91(13)196-153(261)122(77-137(246)247)217-148(256)107(50-55-133(238)239)198-131(237)79-193-164(272)126-30-22-64-224(126)169(277)92(14)197-143(251)109(51-56-134(240)241)204-165(273)127-31-23-65-225(127)170(278)112(25-16-17-59-176)207-140(248)89(11)177/h33-48,78,83-93,103-128,132,138-139,227-234H,16-32,49-77,79-82,176-177H2,1-15H3,(H2,178,235)(H2,179,236)(H,188,194)(H,193,272)(H,195,260)(H,196,261)(H,197,251)(H,198,237)(H,199,257)(H,200,262)(H,201,270)(H,202,252)(H,203,258)(H,204,273)(H,205,274)(H,206,276)(H,207,248)(H,208,259)(H,209,265)(H,210,268)(H,211,271)(H,212,253)(H,213,266)(H,214,267)(H,215,254)(H,216,263)(H,217,256)(H,218,255)(H,219,249)(H,220,264)(H,221,250)(H,222,269)(H,223,275)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,132+,138-,139-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM85679
(CAS_59763-91-6 | PP, human)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C184H285N53O54S2/c1-20-91(10)143(174(285)227-124(83-136(189)247)163(274)213-113(62-73-293-19)157(268)220-119(76-89(6)7)166(277)231-144(97(16)238)175(286)217-114(33-24-66-202-184(197)198)177(288)235-69-27-36-130(235)169(280)214-109(32-23-65-201-183(195)196)153(264)218-116(146(190)257)77-99-39-47-103(240)48-40-99)230-167(278)121(79-101-43-51-105(242)52-44-101)223-154(265)108(31-22-64-200-182(193)194)210-152(263)107(30-21-63-199-181(191)192)211-160(271)117(74-87(2)3)221-165(276)126(85-141(255)256)219-149(260)94(13)204-147(258)93(12)206-158(269)120(78-100-41-49-104(241)50-42-100)222-155(266)110(55-58-133(186)244)209-148(259)95(14)205-151(262)112(61-72-292-18)212-162(273)123(82-135(188)246)224-156(267)111(56-59-138(249)250)215-170(281)131-37-29-71-237(131)180(291)145(98(17)239)232-150(261)96(15)207-159(270)122(81-134(187)245)225-164(275)125(84-140(253)254)208-137(248)86-203-168(279)128-34-25-68-234(128)179(290)127(80-102-45-53-106(243)54-46-102)228-173(284)142(90(8)9)229-172(283)132-38-28-70-236(132)178(289)115(57-60-139(251)252)216-161(272)118(75-88(4)5)226-171(282)129-35-26-67-233(129)176(287)92(11)185/h39-54,87-98,107-132,142-145,238-243H,20-38,55-86,185H2,1-19H3,(H2,186,244)(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,257)(H,203,279)(H,204,258)(H,205,262)(H,206,269)(H,207,270)(H,208,248)(H,209,259)(H,210,263)(H,211,271)(H,212,273)(H,213,274)(H,214,280)(H,215,281)(H,216,272)(H,217,286)(H,218,264)(H,219,260)(H,220,268)(H,221,276)(H,222,266)(H,223,265)(H,224,267)(H,225,275)(H,226,282)(H,227,285)(H,228,284)(H,229,283)(H,230,278)(H,231,277)(H,232,261)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,191,192,199)(H4,193,194,200)(H4,195,196,201)(H4,197,198,202)/p+2/t91?,92?,93-,94-,95-,96-,97+,98?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-,145-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM84997
(NPY D-Trp32 | NPY D-Trp32, human, rat | NPY D-Trp3...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[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@@H](C)CC)C(=O)N[C@H](CC1CNc2ccccc12)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/C196H290N56O56S/c1-14-98(7)156(187(303)242-134(83-109-90-216-118-29-17-16-28-116(109)118)174(290)228-120(32-21-68-213-194(205)206)163(279)229-124(59-62-147(199)260)168(284)226-121(33-22-69-214-195(207)208)164(280)232-128(158(202)274)79-105-41-51-112(256)52-42-105)247-179(295)130(77-97(5)6)234-176(292)136(85-148(200)261)243-188(304)157(99(8)15-2)248-180(296)133(82-108-47-57-115(259)58-48-108)237-175(291)135(84-110-91-211-95-218-110)238-166(282)122(34-23-70-215-196(209)210)227-171(287)129(76-96(3)4)233-161(277)101(10)220-181(297)141(93-253)245-173(289)132(81-107-45-55-114(258)56-46-107)236-172(288)131(80-106-43-53-113(257)54-44-106)235-165(281)119(31-20-67-212-193(203)204)224-159(275)100(9)219-162(278)126(65-75-309-13)230-177(293)138(88-154(270)271)240-169(285)125(61-64-152(266)267)225-160(276)102(11)221-184(300)144-36-25-71-249(144)189(305)103(12)222-170(286)137(87-153(268)269)239-167(283)123(60-63-151(264)265)223-150(263)92-217-183(299)143-35-24-73-251(143)192(308)140(86-149(201)262)244-178(294)139(89-155(272)273)241-185(301)146-38-27-74-252(146)191(307)127(30-18-19-66-197)231-182(298)142(94-254)246-186(302)145-37-26-72-250(145)190(306)117(198)78-104-39-49-111(255)50-40-104/h16-17,28-29,39-58,91,95-103,109,117,119-146,156-157,216,253-259H,14-15,18-27,30-38,59-90,92-94,197-198H2,1-13H3,(H2,199,260)(H2,200,261)(H2,201,262)(H2,202,274)(H,211,218)(H,217,299)(H,219,278)(H,220,297)(H,221,300)(H,222,286)(H,223,263)(H,224,275)(H,225,276)(H,226,284)(H,227,287)(H,228,290)(H,229,279)(H,230,293)(H,231,298)(H,232,280)(H,233,277)(H,234,292)(H,235,281)(H,236,288)(H,237,291)(H,238,282)(H,239,283)(H,240,285)(H,241,301)(H,242,303)(H,243,304)(H,244,294)(H,245,289)(H,246,302)(H,247,295)(H,248,296)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H4,203,204,212)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)/t98-,99-,100-,101-,102-,103-,109?,117-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134+,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,156-,157-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM85678
(NPY [Ala31, Aib32], porcine)Show SMILES CCC(C)[C@H](NC(=O)N(Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C(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(=O)NC(C)(C)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 |@@:8,249| Show InChI InChI=1S/C186H280N56O56/c1-16-93(8)146(175(292)230-126(79-138(190)251)165(282)222-121(72-91(4)5)160(277)210-97(12)151(268)236-186(14,15)180(297)234-114(31-22-66-205-184(199)200)155(272)218-116(56-59-137(189)250)157(274)216-112(29-20-64-203-182(195)196)152(269)220-119(147(192)264)75-100-38-48-106(246)49-39-100)235-185(298)242(86-103-44-54-109(249)55-45-103)237-170(287)125(78-104-84-201-89-207-104)226-154(271)113(30-21-65-204-183(197)198)217-162(279)122(73-92(6)7)221-150(267)95(10)209-168(285)131(87-243)232-164(281)124(77-102-42-52-108(248)53-43-102)225-163(280)123(76-101-40-50-107(247)51-41-101)224-153(270)111(28-19-63-202-181(193)194)214-148(265)94(9)208-159(276)120(71-90(2)3)223-166(283)128(82-144(260)261)228-158(275)117(58-61-142(256)257)215-149(266)96(11)211-172(289)134-33-24-67-238(134)176(293)98(13)212-161(278)127(81-143(258)259)227-156(273)115(57-60-141(254)255)213-140(253)85-206-171(288)133-32-23-69-240(133)179(296)130(80-139(191)252)231-167(284)129(83-145(262)263)229-173(290)136-35-26-70-241(136)178(295)118(27-17-18-62-187)219-169(286)132(88-244)233-174(291)135-34-25-68-239(135)177(294)110(188)74-99-36-46-105(245)47-37-99/h36-55,84,89-98,110-136,146,243-249H,16-35,56-83,85-88,187-188H2,1-15H3,(H2,189,250)(H2,190,251)(H2,191,252)(H2,192,264)(H,201,207)(H,206,288)(H,208,276)(H,209,285)(H,210,277)(H,211,289)(H,212,278)(H,213,253)(H,214,265)(H,215,266)(H,216,274)(H,217,279)(H,218,272)(H,219,286)(H,220,269)(H,221,267)(H,222,282)(H,223,283)(H,224,270)(H,225,280)(H,226,271)(H,227,273)(H,228,275)(H,229,290)(H,230,292)(H,231,284)(H,232,281)(H,233,291)(H,234,297)(H,235,298)(H,236,268)(H,237,287)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,193,194,202)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)/p+1/t93?,94-,95-,96-,97-,98-,110?,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-,146-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM85677
(NPY [hPP(1-17), Ala31,Aib32], human)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]C([#6])([#6])[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O Show InChI InChI=1S/C188H290N56O53S/c1-20-94(10)146(177(292)233-129(86-140(193)255)168(283)226-121(76-90(2)3)161(276)214-99(15)152(267)240-188(17,18)182(297)236-115(34-25-70-209-187(203)204)158(273)220-116(59-62-137(190)252)159(274)218-113(32-23-68-207-185(199)200)155(270)224-120(148(194)263)79-101-39-49-106(247)50-40-101)238-170(285)126(82-104-45-55-109(250)56-46-104)228-157(272)114(33-24-69-208-186(201)202)217-154(269)112(31-22-67-206-184(197)198)219-163(278)122(77-91(4)5)225-150(265)97(13)213-171(286)132(89-245)235-166(281)125(81-103-43-53-108(249)54-44-103)229-165(280)124(80-102-41-51-107(248)52-42-102)227-156(271)111(30-21-66-205-183(195)196)216-149(264)96(12)211-153(268)118(65-75-298-19)221-167(282)128(85-139(192)254)230-160(275)117(60-63-142(257)258)222-173(288)135-37-29-74-244(135)181(296)147(100(16)246)239-151(266)98(14)212-162(277)127(84-138(191)253)231-169(284)130(87-144(261)262)215-141(256)88-210-172(287)133-35-26-72-242(133)180(295)131(83-105-47-57-110(251)58-48-105)234-176(291)145(93(8)9)237-175(290)136-38-28-73-243(136)179(294)119(61-64-143(259)260)223-164(279)123(78-92(6)7)232-174(289)134-36-27-71-241(134)178(293)95(11)189/h39-58,90-100,111-136,145-147,245-251H,20-38,59-89,189H2,1-19H3,(H2,190,252)(H2,191,253)(H2,192,254)(H2,193,255)(H2,194,263)(H,210,287)(H,211,268)(H,212,277)(H,213,286)(H,214,276)(H,215,256)(H,216,264)(H,217,269)(H,218,274)(H,219,278)(H,220,273)(H,221,282)(H,222,288)(H,223,279)(H,224,270)(H,225,265)(H,226,283)(H,227,271)(H,228,272)(H,229,280)(H,230,275)(H,231,284)(H,232,289)(H,233,292)(H,234,291)(H,235,281)(H,236,297)(H,237,290)(H,238,285)(H,239,266)(H,240,267)(H,257,258)(H,259,260)(H,261,262)(H4,195,196,205)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/p+2/t94?,95?,96-,97-,98-,99-,100?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,145-,146-,147-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal Institute of Technology of Zurich
Curated by PDSP Ki Database
| |
J Biol Chem 275: 36043-8 (2000)
Article DOI: 10.1074/jbc.M000626200
BindingDB Entry DOI: 10.7270/Q2PV6HX1 |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306708
(CHEMBL4174184)Show InChI InChI=1S/C11H11ClN2O2/c1-3-16-10-4-7-8(5-9(10)15-2)13-6-14-11(7)12/h4-6H,3H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306039
(CHEMBL4167364)Show SMILES COC(=O)c1ccc(\C=C\c2nc(N3CCC(CCNS(N)(=O)=O)CC3)c3cc(OC)c(OC)cc3n2)cc1 Show InChI InChI=1S/C27H33N5O6S/c1-36-23-16-21-22(17-24(23)37-2)30-25(9-6-18-4-7-20(8-5-18)27(33)38-3)31-26(21)32-14-11-19(12-15-32)10-13-29-39(28,34)35/h4-9,16-17,19,29H,10-15H2,1-3H3,(H2,28,34,35)/b9-6+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307125
(CHEMBL4168092)Show SMILES COc1cc2nc(\C=C\c3ccccc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C25H31N5O4S/c1-33-22-16-20-21(17-23(22)34-2)28-24(9-8-18-6-4-3-5-7-18)29-25(20)30-14-11-19(12-15-30)10-13-27-35(26,31)32/h3-9,16-17,19,27H,10-15H2,1-2H3,(H2,26,31,32)/b9-8+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306945
(CHEMBL4162819)Show InChI InChI=1S/C12H13ClN2O2/c1-3-4-17-11-5-8-9(6-10(11)16-2)14-7-15-12(8)13/h5-7H,3-4H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50307249
(CHEMBL4167667)Show SMILES COc1cc2nc(\C=C\c3cccc(F)c3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC Show InChI InChI=1S/C25H30FN5O4S/c1-34-22-15-20-21(16-23(22)35-2)29-24(7-6-18-4-3-5-19(26)14-18)30-25(20)31-12-9-17(10-13-31)8-11-28-36(27,32)33/h3-7,14-17,28H,8-13H2,1-2H3,(H2,27,32,33)/b7-6+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Brisbane/59/2007(H1N1))) | BDBM139226
(US8883846, 32)Show SMILES CC(=O)N[C@H]1CS(=O)(=O)C2[C@H](C[C@@H](NC(N)=N)C12)C(O)=O |r| Show InChI InChI=1S/C11H18N4O5S/c1-4(16)14-7-3-21(19,20)9-5(10(17)18)2-6(8(7)9)15-11(12)13/h5-9H,2-3H2,1H3,(H,14,16)(H,17,18)(H4,12,13,15)/t5-,6+,7-,8?,9?/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 5.00E+3 | -30.3 | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | 25 |
UVic Industry Partnerships Inc.
US Patent
| Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into... |
US Patent US8883846 (2014)
BindingDB Entry DOI: 10.7270/Q2KK99HM |
More data for this
Ligand-Target Pair | |
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
(Homo sapiens (Human)) | BDBM50306946
(CHEMBL4173090)Show InChI InChI=1S/C12H10ClF5N2O2S/c1-21-10-6-9-8(12(13)20-7-19-9)5-11(10)22-3-2-4-23(14,15,16,17)18/h2,4-7H,3H2,1H3/b4-2+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Laval
Curated by ChEMBL
| Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins |
Eur J Med Chem 147: 130-149 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X |
More data for this
Ligand-Target Pair | |
Neuraminidase
(Influenza A virus (A/Brisbane/59/2007(H1N1))) | BDBM139222
(US8883846, 20 | US8883846, 31)Show SMILES CC(=O)N[C@H]1CS(=O)(=O)[C@@H]2[C@H](C[C@@H](N)[C@H]12)C(O)=O |r| Show InChI InChI=1S/C10H16N2O5S/c1-4(13)12-7-3-18(16,17)9-5(10(14)15)2-6(11)8(7)9/h5-9H,2-3,11H2,1H3,(H,12,13)(H,14,15)/t5-,6+,7-,8+,9+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 2.00E+4 | -26.8 | 9.20E+4 | n/a | n/a | n/a | n/a | n/a | 25 |
UVic Industry Partnerships Inc.
US Patent
| Assay Description
Virus propagation: Influenza A/Brisbane/59/2007 (H1N1) virus was propagated in Madin-Darby Canine Kidney (MDCK) cells. Seed virus was inoculated into... |
US Patent US8883846 (2014)
BindingDB Entry DOI: 10.7270/Q2KK99HM |
More data for this
Ligand-Target Pair | |
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