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Compile Data Set for Download or QSAR

Found 851 hits with Last Name = 'strader' and Initial = 'cd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NPY1R


(MOUSE)
BDBM50091652
PNG
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)
Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.350n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY1R


(MOUSE)
BDBM82276
PNG
(L31,P34-NPY,human | NPY Leu31, Pro34, human, rat |...)
Show InChI InChI=1S/C188H282N54O56S/c1-15-94(8)148(178(292)231-127(81-139(191)251)165(279)223-122(74-92(4)5)168(282)235-147(93(6)7)177(291)237-149(99(13)245)179(293)220-119(31-21-66-206-188(200)201)183(297)241-70-25-35-137(241)174(288)218-114(30-20-65-205-187(198)199)155(269)221-120(150(193)264)76-101-39-49-107(247)50-40-101)236-169(283)125(79-104-45-55-110(250)56-46-104)226-164(278)126(80-105-86-202-90-208-105)227-157(271)113(29-19-64-204-186(196)197)216-161(275)121(73-91(2)3)222-153(267)96(10)210-170(284)132(88-243)233-163(277)124(78-103-43-53-109(249)54-44-103)225-162(276)123(77-102-41-51-108(248)52-42-102)224-156(270)112(28-18-63-203-185(194)195)214-151(265)95(9)209-154(268)117(61-72-299-14)217-166(280)129(84-145(260)261)229-159(273)116(58-60-143(256)257)215-152(266)97(11)211-173(287)135-33-23-67-238(135)180(294)98(12)212-160(274)128(83-144(258)259)228-158(272)115(57-59-142(254)255)213-141(253)87-207-172(286)134-32-22-69-240(134)184(298)131(82-140(192)252)232-167(281)130(85-146(262)263)230-175(289)138-36-26-71-242(138)182(296)118(27-16-17-62-189)219-171(285)133(89-244)234-176(290)136-34-24-68-239(136)181(295)111(190)75-100-37-47-106(246)48-38-100/h37-56,86,90-99,111-138,147-149,243-250H,15-36,57-85,87-89,189-190H2,1-14H3,(H2,191,251)(H2,192,252)(H2,193,264)(H,202,208)(H,207,286)(H,209,268)(H,210,284)(H,211,287)(H,212,274)(H,213,253)(H,214,265)(H,215,266)(H,216,275)(H,217,280)(H,218,288)(H,219,285)(H,220,293)(H,221,269)(H,222,267)(H,223,279)(H,224,270)(H,225,276)(H,226,278)(H,227,271)(H,228,272)(H,229,273)(H,230,289)(H,231,292)(H,232,281)(H,233,277)(H,234,290)(H,235,282)(H,236,283)(H,237,291)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,194,195,203)(H4,196,197,204)(H4,198,199,205)(H4,200,201,206)/t94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,147-,148-,149-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.540n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY2R


(MOUSE)
BDBM50091652
PNG
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)
Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY2R


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY1R


(MOUSE)
BDBM82287
PNG
(NPY2-36 | NPY2-36, human | NPY2-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C181H278N54O55/c1-16-89(9)141(172(285)226-122(76-133(184)244)162(275)218-117(70-88(7)8)165(278)231-142(90(10)17-2)173(286)232-143(95(15)238)174(287)213-109(33-24-64-200-181(193)194)149(262)212-111(53-56-132(183)243)154(267)210-107(31-22-62-198-179(189)190)150(263)215-114(144(186)257)71-96-37-45-101(239)46-38-96)230-166(279)120(74-99-43-51-104(242)52-44-99)221-161(274)121(75-100-81-195-85-202-100)222-152(265)108(32-23-63-199-180(191)192)211-158(271)116(69-87(5)6)216-147(260)92(12)204-167(280)127(83-236)229-160(273)119(73-98-41-49-103(241)50-42-98)220-159(272)118(72-97-39-47-102(240)48-40-97)219-151(264)106(30-21-61-197-178(187)188)208-145(258)91(11)203-156(269)115(68-86(3)4)217-163(276)124(79-139(253)254)224-155(268)112(55-58-137(249)250)209-146(259)93(13)205-170(283)130-35-26-65-233(130)175(288)94(14)206-157(270)123(78-138(251)252)223-153(266)110(54-57-136(247)248)207-135(246)82-201-169(282)129-34-25-66-234(129)177(290)126(77-134(185)245)227-164(277)125(80-140(255)256)225-171(284)131-36-27-67-235(131)176(289)113(28-18-19-59-182)214-168(281)128(84-237)228-148(261)105-29-20-60-196-105/h37-52,81,85-95,105-131,141-143,196,236-242H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,243)(H2,184,244)(H2,185,245)(H2,186,257)(H,195,202)(H,201,282)(H,203,269)(H,204,280)(H,205,283)(H,206,270)(H,207,246)(H,208,258)(H,209,259)(H,210,267)(H,211,271)(H,212,262)(H,213,287)(H,214,281)(H,215,263)(H,216,260)(H,217,276)(H,218,275)(H,219,264)(H,220,272)(H,221,274)(H,222,265)(H,223,266)(H,224,268)(H,225,284)(H,226,285)(H,227,277)(H,228,261)(H,229,273)(H,230,279)(H,231,278)(H,232,286)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t89-,90-,91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY2R


(MOUSE)
BDBM82287
PNG
(NPY2-36 | NPY2-36, human | NPY2-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C181H278N54O55/c1-16-89(9)141(172(285)226-122(76-133(184)244)162(275)218-117(70-88(7)8)165(278)231-142(90(10)17-2)173(286)232-143(95(15)238)174(287)213-109(33-24-64-200-181(193)194)149(262)212-111(53-56-132(183)243)154(267)210-107(31-22-62-198-179(189)190)150(263)215-114(144(186)257)71-96-37-45-101(239)46-38-96)230-166(279)120(74-99-43-51-104(242)52-44-99)221-161(274)121(75-100-81-195-85-202-100)222-152(265)108(32-23-63-199-180(191)192)211-158(271)116(69-87(5)6)216-147(260)92(12)204-167(280)127(83-236)229-160(273)119(73-98-41-49-103(241)50-42-98)220-159(272)118(72-97-39-47-102(240)48-40-97)219-151(264)106(30-21-61-197-178(187)188)208-145(258)91(11)203-156(269)115(68-86(3)4)217-163(276)124(79-139(253)254)224-155(268)112(55-58-137(249)250)209-146(259)93(13)205-170(283)130-35-26-65-233(130)175(288)94(14)206-157(270)123(78-138(251)252)223-153(266)110(54-57-136(247)248)207-135(246)82-201-169(282)129-34-25-66-234(129)177(290)126(77-134(185)245)227-164(277)125(80-140(255)256)225-171(284)131-36-27-67-235(131)176(289)113(28-18-19-59-182)214-168(281)128(84-237)228-148(261)105-29-20-60-196-105/h37-52,81,85-95,105-131,141-143,196,236-242H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,243)(H2,184,244)(H2,185,245)(H2,186,257)(H,195,202)(H,201,282)(H,203,269)(H,204,280)(H,205,283)(H,206,270)(H,207,246)(H,208,258)(H,209,259)(H,210,267)(H,211,271)(H,212,262)(H,213,287)(H,214,281)(H,215,263)(H,216,260)(H,217,276)(H,218,275)(H,219,264)(H,220,272)(H,221,274)(H,222,265)(H,223,266)(H,224,268)(H,225,284)(H,226,285)(H,227,277)(H,228,261)(H,229,273)(H,230,279)(H,231,278)(H,232,286)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t89-,90-,91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 (NPY Y5)


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 (NPY Y5)


(Mus musculus (Mouse))
BDBM50091652
PNG
(CHEMBL269503 | PYY | PYY, rat | Peptide YY(PYY)(YP...)
Show InChI InChI=1S/C190H287N53O58/c1-92(2)74-124(166(280)216-114(27-18-66-204-187(195)196)158(272)231-131(83-107-86-203-91-209-107)171(285)230-130(81-105-41-51-111(251)52-42-105)169(283)225-125(75-93(3)4)167(281)232-132(84-143(194)254)172(286)226-127(77-95(7)8)173(287)238-150(96(9)10)180(294)239-151(101(15)247)181(295)222-117(30-21-69-207-190(201)202)156(270)218-119(55-60-142(193)253)161(275)215-116(29-20-68-206-189(199)200)159(273)234-134(186(300)301)82-106-43-53-112(252)54-44-106)227-175(289)135(88-244)235-153(267)97(11)210-164(278)128(79-103-37-47-109(249)48-38-103)229-170(284)129(80-104-39-49-110(250)50-40-104)228-157(271)115(28-19-67-205-188(197)198)217-174(288)136(89-245)236-168(282)126(76-94(5)6)224-163(277)121(58-63-147(260)261)219-162(276)122(59-64-148(262)263)221-179(293)141-34-25-73-243(141)185(299)137(90-246)237-154(268)98(12)211-165(279)133(85-149(264)265)233-160(274)118(56-61-145(256)257)214-144(255)87-208-176(290)138-31-22-70-240(138)182(296)100(14)213-155(269)120(57-62-146(258)259)220-178(292)140-33-24-72-242(140)184(298)123(26-16-17-65-191)223-152(266)99(13)212-177(291)139-32-23-71-241(139)183(297)113(192)78-102-35-45-108(248)46-36-102/h35-54,86,91-101,113-141,150-151,244-252H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H,203,209)(H,208,290)(H,210,278)(H,211,279)(H,212,291)(H,213,269)(H,214,255)(H,215,275)(H,216,280)(H,217,288)(H,218,270)(H,219,276)(H,220,292)(H,221,293)(H,222,295)(H,223,266)(H,224,277)(H,225,283)(H,226,286)(H,227,289)(H,228,271)(H,229,284)(H,230,285)(H,231,272)(H,232,281)(H,233,274)(H,234,273)(H,235,267)(H,236,282)(H,237,268)(H,238,287)(H,239,294)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,300,301)(H4,195,196,204)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 (NPY Y5)


(Mus musculus (Mouse))
BDBM82276
PNG
(L31,P34-NPY,human | NPY Leu31, Pro34, human, rat |...)
Show InChI InChI=1S/C188H282N54O56S/c1-15-94(8)148(178(292)231-127(81-139(191)251)165(279)223-122(74-92(4)5)168(282)235-147(93(6)7)177(291)237-149(99(13)245)179(293)220-119(31-21-66-206-188(200)201)183(297)241-70-25-35-137(241)174(288)218-114(30-20-65-205-187(198)199)155(269)221-120(150(193)264)76-101-39-49-107(247)50-40-101)236-169(283)125(79-104-45-55-110(250)56-46-104)226-164(278)126(80-105-86-202-90-208-105)227-157(271)113(29-19-64-204-186(196)197)216-161(275)121(73-91(2)3)222-153(267)96(10)210-170(284)132(88-243)233-163(277)124(78-103-43-53-109(249)54-44-103)225-162(276)123(77-102-41-51-108(248)52-42-102)224-156(270)112(28-18-63-203-185(194)195)214-151(265)95(9)209-154(268)117(61-72-299-14)217-166(280)129(84-145(260)261)229-159(273)116(58-60-143(256)257)215-152(266)97(11)211-173(287)135-33-23-67-238(135)180(294)98(12)212-160(274)128(83-144(258)259)228-158(272)115(57-59-142(254)255)213-141(253)87-207-172(286)134-32-22-69-240(134)184(298)131(82-140(192)252)232-167(281)130(85-146(262)263)230-175(289)138-36-26-71-242(138)182(296)118(27-16-17-62-189)219-171(285)133(89-244)234-176(290)136-34-24-68-239(136)181(295)111(190)75-100-37-47-106(246)48-38-100/h37-56,86,90-99,111-138,147-149,243-250H,15-36,57-85,87-89,189-190H2,1-14H3,(H2,191,251)(H2,192,252)(H2,193,264)(H,202,208)(H,207,286)(H,209,268)(H,210,284)(H,211,287)(H,212,274)(H,213,253)(H,214,265)(H,215,266)(H,216,275)(H,217,280)(H,218,288)(H,219,285)(H,220,293)(H,221,269)(H,222,267)(H,223,279)(H,224,270)(H,225,276)(H,226,278)(H,227,271)(H,228,272)(H,229,273)(H,230,289)(H,231,292)(H,232,281)(H,233,277)(H,234,290)(H,235,282)(H,236,283)(H,237,291)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,194,195,203)(H4,196,197,204)(H4,198,199,205)(H4,200,201,206)/t94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,147-,148-,149-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
7.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 (NPY Y5)


(Mus musculus (Mouse))
BDBM82287
PNG
(NPY2-36 | NPY2-36, human | NPY2-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C181H278N54O55/c1-16-89(9)141(172(285)226-122(76-133(184)244)162(275)218-117(70-88(7)8)165(278)231-142(90(10)17-2)173(286)232-143(95(15)238)174(287)213-109(33-24-64-200-181(193)194)149(262)212-111(53-56-132(183)243)154(267)210-107(31-22-62-198-179(189)190)150(263)215-114(144(186)257)71-96-37-45-101(239)46-38-96)230-166(279)120(74-99-43-51-104(242)52-44-99)221-161(274)121(75-100-81-195-85-202-100)222-152(265)108(32-23-63-199-180(191)192)211-158(271)116(69-87(5)6)216-147(260)92(12)204-167(280)127(83-236)229-160(273)119(73-98-41-49-103(241)50-42-98)220-159(272)118(72-97-39-47-102(240)48-40-97)219-151(264)106(30-21-61-197-178(187)188)208-145(258)91(11)203-156(269)115(68-86(3)4)217-163(276)124(79-139(253)254)224-155(268)112(55-58-137(249)250)209-146(259)93(13)205-170(283)130-35-26-65-233(130)175(288)94(14)206-157(270)123(78-138(251)252)223-153(266)110(54-57-136(247)248)207-135(246)82-201-169(282)129-34-25-66-234(129)177(290)126(77-134(185)245)227-164(277)125(80-140(255)256)225-171(284)131-36-27-67-235(131)176(289)113(28-18-19-59-182)214-168(281)128(84-237)228-148(261)105-29-20-60-196-105/h37-52,81,85-95,105-131,141-143,196,236-242H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,243)(H2,184,244)(H2,185,245)(H2,186,257)(H,195,202)(H,201,282)(H,203,269)(H,204,280)(H,205,283)(H,206,270)(H,207,246)(H,208,258)(H,209,259)(H,210,267)(H,211,271)(H,212,262)(H,213,287)(H,214,281)(H,215,263)(H,216,260)(H,217,276)(H,218,275)(H,219,264)(H,220,272)(H,221,274)(H,222,265)(H,223,266)(H,224,268)(H,225,284)(H,226,285)(H,227,277)(H,228,261)(H,229,273)(H,230,279)(H,231,278)(H,232,286)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t89-,90-,91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
8.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY2R


(MOUSE)
BDBM82282
PNG
(NPY13-36 | NPY13-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:163.169,100.108,162.166,138.142,8.17,180.184,20.28,41.47,200.204,54.58,130.133,125.129,95.99,wD:116.125,108.116,154.158,146.150,84.95,4.4,169.173,72.84,30.39,189.193,60.71,155.160,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;61.61,4.68,;60.84,3.34,;59.3,3.34,;61.61,2.01,;63.15,2.01,;63.92,.68,;65.46,.68,;66.23,-.66,;67.77,-.66,;68.54,-1.99,;68.54,.68,;60.84,.68,;61.61,-.66,;63.15,-.66,;60.84,-1.99,;59.3,-1.99,;61.61,-3.32,;60.84,-4.66,;59.3,-4.66,;61.61,-5.99,;60.84,-7.33,;59.3,-7.33,;58.53,-8.66,;58.53,-5.99,;63.15,-5.99,;63.92,-7.33,;63.15,-8.66,;65.46,-7.33,;66.23,-5.99,;67.77,-5.99,;68.54,-4.66,;68.54,-7.33,;66.23,-8.66,;65.46,-9.99,;63.92,-9.99,;66.23,-11.33,;67.77,-11.33,;68.54,-12.66,;70.08,-12.66,;70.85,-13.99,;70.85,-11.33,;65.46,-12.66,;66.23,-13.99,;67.77,-13.99,;65.46,-15.33,;63.92,-15.33,;66.23,-16.66,;65.46,-18,;63.92,-18,;66.23,-19.33,;65.6,-20.74,;66.75,-21.77,;68.08,-21,;67.76,-19.49,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
Show InChI InChI=1S/C135H209N41O36/c1-15-68(9)105(129(210)172-98(60-102(137)184)124(205)166-93(54-67(7)8)126(207)175-106(69(10)16-2)130(211)176-107(73(14)178)131(212)162-87(26-21-51-152-135(145)146)113(194)161-88(43-45-101(136)183)117(198)159-85(24-19-49-150-133(141)142)114(195)163-90(108(138)189)55-74-27-35-79(179)36-28-74)174-127(208)96(58-77-33-41-82(182)42-34-77)169-123(204)97(59-78-62-147-64-153-78)170-116(197)86(25-20-50-151-134(143)144)160-120(201)92(53-66(5)6)164-111(192)72(13)156-128(209)100(63-177)173-122(203)95(57-76-31-39-81(181)40-32-76)168-121(202)94(56-75-29-37-80(180)38-30-75)167-115(196)84(23-18-48-149-132(139)140)157-109(190)71(12)155-119(200)91(52-65(3)4)165-125(206)99(61-104(187)188)171-118(199)89(44-46-103(185)186)158-110(191)70(11)154-112(193)83-22-17-47-148-83/h27-42,62,64-73,83-100,105-107,148,177-182H,15-26,43-61,63H2,1-14H3,(H2,136,183)(H2,137,184)(H2,138,189)(H,147,153)(H,154,193)(H,155,200)(H,156,209)(H,157,190)(H,158,191)(H,159,198)(H,160,201)(H,161,194)(H,162,212)(H,163,195)(H,164,192)(H,165,206)(H,166,205)(H,167,196)(H,168,202)(H,169,204)(H,170,197)(H,171,199)(H,172,210)(H,173,203)(H,174,208)(H,175,207)(H,176,211)(H,185,186)(H,187,188)(H4,139,140,149)(H4,141,142,150)(H4,143,144,151)(H4,145,146,152)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
9.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY1R


(MOUSE)
BDBM82282
PNG
(NPY13-36 | NPY13-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:163.169,100.108,162.166,138.142,8.17,180.184,20.28,41.47,200.204,54.58,130.133,125.129,95.99,wD:116.125,108.116,154.158,146.150,84.95,4.4,169.173,72.84,30.39,189.193,60.71,155.160,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;61.61,4.68,;60.84,3.34,;59.3,3.34,;61.61,2.01,;63.15,2.01,;63.92,.68,;65.46,.68,;66.23,-.66,;67.77,-.66,;68.54,-1.99,;68.54,.68,;60.84,.68,;61.61,-.66,;63.15,-.66,;60.84,-1.99,;59.3,-1.99,;61.61,-3.32,;60.84,-4.66,;59.3,-4.66,;61.61,-5.99,;60.84,-7.33,;59.3,-7.33,;58.53,-8.66,;58.53,-5.99,;63.15,-5.99,;63.92,-7.33,;63.15,-8.66,;65.46,-7.33,;66.23,-5.99,;67.77,-5.99,;68.54,-4.66,;68.54,-7.33,;66.23,-8.66,;65.46,-9.99,;63.92,-9.99,;66.23,-11.33,;67.77,-11.33,;68.54,-12.66,;70.08,-12.66,;70.85,-13.99,;70.85,-11.33,;65.46,-12.66,;66.23,-13.99,;67.77,-13.99,;65.46,-15.33,;63.92,-15.33,;66.23,-16.66,;65.46,-18,;63.92,-18,;66.23,-19.33,;65.6,-20.74,;66.75,-21.77,;68.08,-21,;67.76,-19.49,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
Show InChI InChI=1S/C135H209N41O36/c1-15-68(9)105(129(210)172-98(60-102(137)184)124(205)166-93(54-67(7)8)126(207)175-106(69(10)16-2)130(211)176-107(73(14)178)131(212)162-87(26-21-51-152-135(145)146)113(194)161-88(43-45-101(136)183)117(198)159-85(24-19-49-150-133(141)142)114(195)163-90(108(138)189)55-74-27-35-79(179)36-28-74)174-127(208)96(58-77-33-41-82(182)42-34-77)169-123(204)97(59-78-62-147-64-153-78)170-116(197)86(25-20-50-151-134(143)144)160-120(201)92(53-66(5)6)164-111(192)72(13)156-128(209)100(63-177)173-122(203)95(57-76-31-39-81(181)40-32-76)168-121(202)94(56-75-29-37-80(180)38-30-75)167-115(196)84(23-18-48-149-132(139)140)157-109(190)71(12)155-119(200)91(52-65(3)4)165-125(206)99(61-104(187)188)171-118(199)89(44-46-103(185)186)158-110(191)70(11)154-112(193)83-22-17-47-148-83/h27-42,62,64-73,83-100,105-107,148,177-182H,15-26,43-61,63H2,1-14H3,(H2,136,183)(H2,137,184)(H2,138,189)(H,147,153)(H,154,193)(H,155,200)(H,156,209)(H,157,190)(H,158,191)(H,159,198)(H,160,201)(H,161,194)(H,162,212)(H,163,195)(H,164,192)(H,165,206)(H,166,205)(H,167,196)(H,168,202)(H,169,204)(H,170,197)(H,171,199)(H,172,210)(H,173,203)(H,174,208)(H,175,207)(H,176,211)(H,185,186)(H,187,188)(H4,139,140,149)(H4,141,142,150)(H4,143,144,151)(H4,145,146,152)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
22n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 (NPY Y5)


(Mus musculus (Mouse))
BDBM82282
PNG
(NPY13-36 | NPY13-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:163.169,100.108,162.166,138.142,8.17,180.184,20.28,41.47,200.204,54.58,130.133,125.129,95.99,wD:116.125,108.116,154.158,146.150,84.95,4.4,169.173,72.84,30.39,189.193,60.71,155.160,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;61.61,4.68,;60.84,3.34,;59.3,3.34,;61.61,2.01,;63.15,2.01,;63.92,.68,;65.46,.68,;66.23,-.66,;67.77,-.66,;68.54,-1.99,;68.54,.68,;60.84,.68,;61.61,-.66,;63.15,-.66,;60.84,-1.99,;59.3,-1.99,;61.61,-3.32,;60.84,-4.66,;59.3,-4.66,;61.61,-5.99,;60.84,-7.33,;59.3,-7.33,;58.53,-8.66,;58.53,-5.99,;63.15,-5.99,;63.92,-7.33,;63.15,-8.66,;65.46,-7.33,;66.23,-5.99,;67.77,-5.99,;68.54,-4.66,;68.54,-7.33,;66.23,-8.66,;65.46,-9.99,;63.92,-9.99,;66.23,-11.33,;67.77,-11.33,;68.54,-12.66,;70.08,-12.66,;70.85,-13.99,;70.85,-11.33,;65.46,-12.66,;66.23,-13.99,;67.77,-13.99,;65.46,-15.33,;63.92,-15.33,;66.23,-16.66,;65.46,-18,;63.92,-18,;66.23,-19.33,;65.6,-20.74,;66.75,-21.77,;68.08,-21,;67.76,-19.49,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
Show InChI InChI=1S/C135H209N41O36/c1-15-68(9)105(129(210)172-98(60-102(137)184)124(205)166-93(54-67(7)8)126(207)175-106(69(10)16-2)130(211)176-107(73(14)178)131(212)162-87(26-21-51-152-135(145)146)113(194)161-88(43-45-101(136)183)117(198)159-85(24-19-49-150-133(141)142)114(195)163-90(108(138)189)55-74-27-35-79(179)36-28-74)174-127(208)96(58-77-33-41-82(182)42-34-77)169-123(204)97(59-78-62-147-64-153-78)170-116(197)86(25-20-50-151-134(143)144)160-120(201)92(53-66(5)6)164-111(192)72(13)156-128(209)100(63-177)173-122(203)95(57-76-31-39-81(181)40-32-76)168-121(202)94(56-75-29-37-80(180)38-30-75)167-115(196)84(23-18-48-149-132(139)140)157-109(190)71(12)155-119(200)91(52-65(3)4)165-125(206)99(61-104(187)188)171-118(199)89(44-46-103(185)186)158-110(191)70(11)154-112(193)83-22-17-47-148-83/h27-42,62,64-73,83-100,105-107,148,177-182H,15-26,43-61,63H2,1-14H3,(H2,136,183)(H2,137,184)(H2,138,189)(H,147,153)(H,154,193)(H,155,200)(H,156,209)(H,157,190)(H,158,191)(H,159,198)(H,160,201)(H,161,194)(H,162,212)(H,163,195)(H,164,192)(H,165,206)(H,166,205)(H,167,196)(H,168,202)(H,169,204)(H,170,197)(H,171,199)(H,172,210)(H,173,203)(H,174,208)(H,175,207)(H,176,211)(H,185,186)(H,187,188)(H4,139,140,149)(H4,141,142,150)(H4,143,144,151)(H4,145,146,152)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
109n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY1R


(MOUSE)
BDBM82286
PNG
(CAS_59763-91-6 | PP, human | PP,SALMON)
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](-[#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/C185H287N53O54S2/c1-21-91(10)143(175(286)228-125(84-137(190)248)164(275)213-114(63-74-294-20)158(269)221-120(77-89(6)7)167(278)232-144(98(17)239)176(287)217-115(34-25-67-203-185(198)199)178(289)235-69-28-37-131(235)170(281)214-110(33-24-66-202-184(196)197)154(265)218-117(146(191)257)78-100-40-48-104(241)49-41-100)231-168(279)122(80-102-44-52-106(243)53-45-102)224-155(266)109(32-23-65-201-183(194)195)210-153(264)108(31-22-64-200-182(192)193)211-161(272)118(75-87(2)3)222-165(276)126(85-140(253)254)219-149(260)94(13)204-147(258)93(12)206-159(270)121(79-101-42-50-105(242)51-43-101)223-156(267)111(56-59-134(187)245)209-148(259)95(14)205-152(263)113(62-73-293-19)212-163(274)124(83-136(189)247)225-157(268)112(57-60-138(249)250)215-171(282)132-38-30-72-238(132)181(292)145(99(18)240)233-151(262)97(16)207-160(271)123(82-135(188)246)226-166(277)127(86-141(255)256)220-150(261)96(15)208-169(280)129-35-27-71-237(129)180(291)128(81-103-46-54-107(244)55-47-103)229-174(285)142(90(8)9)230-173(284)133-39-29-70-236(133)179(290)116(58-61-139(251)252)216-162(273)119(76-88(4)5)227-172(283)130-36-26-68-234(130)177(288)92(11)186/h40-55,87-99,108-133,142-145,239-244H,21-39,56-86,186H2,1-20H3,(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,248)(H2,191,257)(H,204,258)(H,205,263)(H,206,270)(H,207,271)(H,208,280)(H,209,259)(H,210,264)(H,211,272)(H,212,274)(H,213,275)(H,214,281)(H,215,282)(H,216,273)(H,217,287)(H,218,265)(H,219,260)(H,220,261)(H,221,269)(H,222,276)(H,223,267)(H,224,266)(H,225,268)(H,226,277)(H,227,283)(H,228,286)(H,229,285)(H,230,284)(H,231,279)(H,232,278)(H,233,262)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,192,193,200)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/p+2/t91?,92?,93-,94-,95-,96?,97-,98+,99?,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-,133-,142-,143-,144-,145-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
122n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY2R


(MOUSE)
BDBM82276
PNG
(L31,P34-NPY,human | NPY Leu31, Pro34, human, rat |...)
Show InChI InChI=1S/C188H282N54O56S/c1-15-94(8)148(178(292)231-127(81-139(191)251)165(279)223-122(74-92(4)5)168(282)235-147(93(6)7)177(291)237-149(99(13)245)179(293)220-119(31-21-66-206-188(200)201)183(297)241-70-25-35-137(241)174(288)218-114(30-20-65-205-187(198)199)155(269)221-120(150(193)264)76-101-39-49-107(247)50-40-101)236-169(283)125(79-104-45-55-110(250)56-46-104)226-164(278)126(80-105-86-202-90-208-105)227-157(271)113(29-19-64-204-186(196)197)216-161(275)121(73-91(2)3)222-153(267)96(10)210-170(284)132(88-243)233-163(277)124(78-103-43-53-109(249)54-44-103)225-162(276)123(77-102-41-51-108(248)52-42-102)224-156(270)112(28-18-63-203-185(194)195)214-151(265)95(9)209-154(268)117(61-72-299-14)217-166(280)129(84-145(260)261)229-159(273)116(58-60-143(256)257)215-152(266)97(11)211-173(287)135-33-23-67-238(135)180(294)98(12)212-160(274)128(83-144(258)259)228-158(272)115(57-59-142(254)255)213-141(253)87-207-172(286)134-32-22-69-240(134)184(298)131(82-140(192)252)232-167(281)130(85-146(262)263)230-175(289)138-36-26-71-242(138)182(296)118(27-16-17-62-189)219-171(285)133(89-244)234-176(290)136-34-24-68-239(136)181(295)111(190)75-100-37-47-106(246)48-38-100/h37-56,86,90-99,111-138,147-149,243-250H,15-36,57-85,87-89,189-190H2,1-14H3,(H2,191,251)(H2,192,252)(H2,193,264)(H,202,208)(H,207,286)(H,209,268)(H,210,284)(H,211,287)(H,212,274)(H,213,253)(H,214,265)(H,215,266)(H,216,275)(H,217,280)(H,218,288)(H,219,285)(H,220,293)(H,221,269)(H,222,267)(H,223,279)(H,224,270)(H,225,276)(H,226,278)(H,227,271)(H,228,272)(H,229,273)(H,230,289)(H,231,292)(H,232,281)(H,233,277)(H,234,290)(H,235,282)(H,236,283)(H,237,291)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,194,195,203)(H4,196,197,204)(H4,198,199,205)(H4,200,201,206)/t94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,147-,148-,149-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
277n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 (NPY Y5)


(Mus musculus (Mouse))
BDBM82286
PNG
(CAS_59763-91-6 | PP, human | PP,SALMON)
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](-[#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/C185H287N53O54S2/c1-21-91(10)143(175(286)228-125(84-137(190)248)164(275)213-114(63-74-294-20)158(269)221-120(77-89(6)7)167(278)232-144(98(17)239)176(287)217-115(34-25-67-203-185(198)199)178(289)235-69-28-37-131(235)170(281)214-110(33-24-66-202-184(196)197)154(265)218-117(146(191)257)78-100-40-48-104(241)49-41-100)231-168(279)122(80-102-44-52-106(243)53-45-102)224-155(266)109(32-23-65-201-183(194)195)210-153(264)108(31-22-64-200-182(192)193)211-161(272)118(75-87(2)3)222-165(276)126(85-140(253)254)219-149(260)94(13)204-147(258)93(12)206-159(270)121(79-101-42-50-105(242)51-43-101)223-156(267)111(56-59-134(187)245)209-148(259)95(14)205-152(263)113(62-73-293-19)212-163(274)124(83-136(189)247)225-157(268)112(57-60-138(249)250)215-171(282)132-38-30-72-238(132)181(292)145(99(18)240)233-151(262)97(16)207-160(271)123(82-135(188)246)226-166(277)127(86-141(255)256)220-150(261)96(15)208-169(280)129-35-27-71-237(129)180(291)128(81-103-46-54-107(244)55-47-103)229-174(285)142(90(8)9)230-173(284)133-39-29-70-236(133)179(290)116(58-61-139(251)252)216-162(273)119(76-88(4)5)227-172(283)130-36-26-68-234(130)177(288)92(11)186/h40-55,87-99,108-133,142-145,239-244H,21-39,56-86,186H2,1-20H3,(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,248)(H2,191,257)(H,204,258)(H,205,263)(H,206,270)(H,207,271)(H,208,280)(H,209,259)(H,210,264)(H,211,272)(H,212,274)(H,213,275)(H,214,281)(H,215,282)(H,216,273)(H,217,287)(H,218,265)(H,219,260)(H,220,261)(H,221,269)(H,222,276)(H,223,267)(H,224,266)(H,225,268)(H,226,277)(H,227,283)(H,228,286)(H,229,285)(H,230,284)(H,231,279)(H,232,278)(H,233,262)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,192,193,200)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/p+2/t91?,92?,93-,94-,95-,96?,97-,98+,99?,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-,133-,142-,143-,144-,145-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
NPY2R


(MOUSE)
BDBM82286
PNG
(CAS_59763-91-6 | PP, human | PP,SALMON)
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](-[#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/C185H287N53O54S2/c1-21-91(10)143(175(286)228-125(84-137(190)248)164(275)213-114(63-74-294-20)158(269)221-120(77-89(6)7)167(278)232-144(98(17)239)176(287)217-115(34-25-67-203-185(198)199)178(289)235-69-28-37-131(235)170(281)214-110(33-24-66-202-184(196)197)154(265)218-117(146(191)257)78-100-40-48-104(241)49-41-100)231-168(279)122(80-102-44-52-106(243)53-45-102)224-155(266)109(32-23-65-201-183(194)195)210-153(264)108(31-22-64-200-182(192)193)211-161(272)118(75-87(2)3)222-165(276)126(85-140(253)254)219-149(260)94(13)204-147(258)93(12)206-159(270)121(79-101-42-50-105(242)51-43-101)223-156(267)111(56-59-134(187)245)209-148(259)95(14)205-152(263)113(62-73-293-19)212-163(274)124(83-136(189)247)225-157(268)112(57-60-138(249)250)215-171(282)132-38-30-72-238(132)181(292)145(99(18)240)233-151(262)97(16)207-160(271)123(82-135(188)246)226-166(277)127(86-141(255)256)220-150(261)96(15)208-169(280)129-35-27-71-237(129)180(291)128(81-103-46-54-107(244)55-47-103)229-174(285)142(90(8)9)230-173(284)133-39-29-70-236(133)179(290)116(58-61-139(251)252)216-162(273)119(76-88(4)5)227-172(283)130-36-26-68-234(130)177(288)92(11)186/h40-55,87-99,108-133,142-145,239-244H,21-39,56-86,186H2,1-20H3,(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,248)(H2,191,257)(H,204,258)(H,205,263)(H,206,270)(H,207,271)(H,208,280)(H,209,259)(H,210,264)(H,211,272)(H,212,274)(H,213,275)(H,214,281)(H,215,282)(H,216,273)(H,217,287)(H,218,265)(H,219,260)(H,220,261)(H,221,269)(H,222,276)(H,223,267)(H,224,266)(H,225,268)(H,226,277)(H,227,283)(H,228,286)(H,229,285)(H,230,284)(H,231,279)(H,232,278)(H,233,262)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,192,193,200)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/p+2/t91?,92?,93-,94-,95-,96?,97-,98+,99?,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-,133-,142-,143-,144-,145-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Biol Chem 271: 16435-8 (1996)


BindingDB Entry DOI: 10.7270/Q2XK8D36
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049469
PNG
(5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2OCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F6N4O3/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-35-19-18(14-4-2-1-3-5-14)32(6-7-34-19)11-17-29-20(33)31-30-17/h1-5,8-10,18-19H,6-7,11-12H2,(H2,29,30,31,33)/t18-,19+/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049467
PNG
((2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-ph...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2OCCN(Cn3cncn3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F6N4O2/c23-21(24,25)17-8-15(9-18(10-17)22(26,27)28)11-34-20-19(16-4-2-1-3-5-16)31(6-7-33-20)14-32-13-29-12-30-32/h1-5,8-10,12-13,19-20H,6-7,11,14H2/t19-,20+/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)|
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000041
PNG
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Substance-P receptor


(Homo sapiens (Human))
BDBM50000041
PNG
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Substance-P receptor


(Homo sapiens (Human))
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)|
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cells


Bioorg Med Chem Lett 3: 2707-2712 (1993)


Article DOI: 10.1016/S0960-894X(01)80747-2
BindingDB Entry DOI: 10.7270/Q23F4PKF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50154572
PNG
(1-Amino-2-[1-(3,5-bis-trifluoromethyl-benzyloxymet...)
Show SMILES NC(=O)CNC(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24F6N2O2/c27-25(28,29)20-11-17(12-21(13-20)26(30,31)32)15-36-16-22(34-14-23(33)35)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,22,24,34H,14-16H2,(H2,33,35)
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n/an/a 0.850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049468
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1
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n/an/a 0.870n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50052283
PNG
(2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...)
Show SMILES NC(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
Show InChI InChI=1S/C22H22F6N2O2/c23-21(24,25)16-9-14(10-17(11-16)22(26,27)28)13-32-18-7-4-8-30(12-19(29)31)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H2,29,31)/t18-,20-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049468
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049472
PNG
(2-[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3...)
Show SMILES NC(=O)CN1CCO[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
Show InChI InChI=1S/C21H20F6N2O3/c22-20(23,24)15-8-13(9-16(10-15)21(25,26)27)12-32-19-18(14-4-2-1-3-5-14)29(6-7-31-19)11-17(28)30/h1-5,8-10,18-19H,6-7,11-12H2,(H2,28,30)/t18-,19+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284636
PNG
(2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-...)
Show SMILES NC(=O)C[C@H]1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
Show InChI InChI=1S/C23H23F6NO2/c24-22(25,26)17-9-14(10-18(12-17)23(27,28)29)13-32-19-8-4-7-16(11-20(30)31)21(19)15-5-2-1-3-6-15/h1-3,5-6,9-10,12,16,19,21H,4,7-8,11,13H2,(H2,30,31)/t16-,19+,21-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284636
PNG
(2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-...)
Show SMILES NC(=O)C[C@H]1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
Show InChI InChI=1S/C23H23F6NO2/c24-22(25,26)17-9-14(10-18(12-17)23(27,28)29)13-32-19-8-4-7-16(11-20(30)31)21(19)15-5-2-1-3-6-15/h1-3,5-6,9-10,12,16,19,21H,4,7-8,11,13H2,(H2,30,31)/t16-,19+,21-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049473
PNG
(CHEMBL300856 | [(2S,3S)-2-(3,5-Bis-trifluoromethyl...)
Show SMILES COC(=O)CN1CCO[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
Show InChI InChI=1S/C22H21F6NO4/c1-31-18(30)12-29-7-8-32-20(19(29)15-5-3-2-4-6-15)33-13-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-6,9-11,19-20H,7-8,12-13H2,1H3/t19-,20+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50407836
PNG
(CHEMBL2112240)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C51H52FN7O7/c1-30(60)45-50(65)57-43(26-31-11-3-2-4-12-31)51(66)59-24-10-19-44(59)49(64)56-41(27-34-15-9-14-33-13-5-6-16-37(33)34)46(61)55-42(28-35-29-53-39-18-8-7-17-38(35)39)47(62)54-40(48(63)58-45)25-32-20-22-36(52)23-21-32/h2-9,11-18,20-23,29-30,40-45,53,60H,10,19,24-28H2,1H3,(H,54,62)(H,55,61)(H,56,64)(H,57,65)(H,58,63)/t30-,40+,41+,42-,43+,44+,45+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of Tachykinin receptor 1


J Med Chem 39: 2441-8 (1996)


Article DOI: 10.1021/jm960281e
BindingDB Entry DOI: 10.7270/Q2P84CJT
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50281976
PNG
((2S,3S)-2-Benzhydryl-3-(3,5-dimethyl-benzyloxy)-1-...)
Show SMILES Cc1cc(C)cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(11.46,-2.62,;11.48,-4.16,;12.82,-4.93,;12.82,-6.49,;14.15,-7.26,;11.48,-7.26,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;10.15,-9.57,;11.48,-8.8,;12.82,-9.57,;12.82,-11.11,;11.48,-11.88,;8.8,-13.42,;7.47,-14.17,;7.47,-15.71,;8.8,-16.48,;10.15,-15.71,;10.13,-14.17,;10.15,-4.95,)|
Show InChI InChI=1S/C29H33NO/c1-21-17-22(2)19-23(18-21)20-31-29-26-13-15-30(16-14-26)28(29)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-19,26-29H,13-16,20H2,1-2H3/t28-,29-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards wild type human Wild-type tachykinin receptor 1 expressed in Chinese hamster ovary cells


Bioorg Med Chem Lett 5: 1261-1264 (1995)


Article DOI: 10.1016/0960-894X(95)00205-8
BindingDB Entry DOI: 10.7270/Q2RR1Z57
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50029884
PNG
((2S,3S)-2-Benzhydryl-3-(3,5-bis-trifluoromethyl-be...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |wD:16.18,9.8,(12.7,-1.59,;11.46,-2.62,;10.22,-1.61,;11.46,-1.22,;11.48,-4.16,;10.15,-4.95,;10.15,-6.49,;8.8,-7.26,;8.8,-8.8,;7.47,-9.57,;6.14,-8.78,;4.81,-9.55,;4.81,-11.09,;6.14,-11.86,;5.61,-10.88,;6.77,-9.78,;7.47,-11.11,;8.82,-11.88,;10.15,-11.11,;11.48,-11.88,;12.82,-11.11,;12.82,-9.57,;11.48,-8.8,;10.15,-9.57,;8.8,-13.42,;10.13,-14.17,;10.15,-15.71,;8.8,-16.48,;7.47,-15.71,;7.47,-14.17,;11.48,-7.26,;12.82,-6.49,;12.82,-4.93,;14.15,-7.26,;15.38,-7.94,;14.42,-8.84,;15.66,-6.67,)|
Show InChI InChI=1S/C29H27F6NO/c30-28(31,32)23-15-19(16-24(17-23)29(33,34)35)18-37-27-22-11-13-36(14-12-22)26(27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25-27H,11-14,18H2/t26-,27-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards wild type human Wild-type tachykinin receptor 1 expressed in Chinese hamster ovary cells


Bioorg Med Chem Lett 5: 1261-1264 (1995)


Article DOI: 10.1016/0960-894X(95)00205-8
BindingDB Entry DOI: 10.7270/Q2RR1Z57
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049475
PNG
((2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-ph...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2OCCN[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C19H17F6NO2/c20-18(21,22)14-8-12(9-15(10-14)19(23,24)25)11-28-17-16(26-6-7-27-17)13-4-2-1-3-5-13/h1-5,8-10,16-17,26H,6-7,11H2/t16-,17+/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284633
PNG
(2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCC[C@H](CC(=O)NCc3cccnc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F6N2O2/c30-28(31,32)23-12-20(13-24(15-23)29(33,34)35)18-39-25-10-4-9-22(27(25)21-7-2-1-3-8-21)14-26(38)37-17-19-6-5-11-36-16-19/h1-3,5-8,11-13,15-16,22,25,27H,4,9-10,14,17-18H2,(H,37,38)/t22-,25+,27-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284639
PNG
(CHEMBL281717 | [3-(3,5-Bis-trifluoromethyl-benzylo...)
Show SMILES NC(=O)NC[C@H]1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
Show InChI InChI=1S/C23H24F6N2O2/c24-22(25,26)17-9-14(10-18(11-17)23(27,28)29)13-33-19-8-4-7-16(12-31-21(30)32)20(19)15-5-2-1-3-6-15/h1-3,5-6,9-11,16,19-20H,4,7-8,12-13H2,(H3,30,31,32)/t16-,19+,20-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070125
PNG
(CHEMBL276659 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O4/c27-21-10-12-23(13-11-21)30-17-22(28)16-25-15-14-18-6-8-20(9-7-18)26-24(29)19-4-2-1-3-5-19/h1-13,22,25,27-28H,14-17H2,(H,26,29)/t22-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50049469
PNG
(5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2OCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H20F6N4O3/c23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)12-35-19-18(14-4-2-1-3-5-14)32(6-7-34-19)11-17-29-20(33)31-30-17/h1-5,8-10,18-19H,6-7,11-12H2,(H2,29,30,31,33)/t18-,19+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled SP from the human Tachykinin receptor 2 expressed in CHO cells


J Med Chem 39: 1760-2 (1996)


Article DOI: 10.1021/jm950654w
BindingDB Entry DOI: 10.7270/Q2GB2346
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284634
PNG
(2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-...)
Show SMILES FC(F)(F)c1cc(CO[C@H]2CCC[C@H](CC(=O)NCc3ccncc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28F6N2O2/c30-28(31,32)23-13-20(14-24(16-23)29(33,34)35)18-39-25-8-4-7-22(27(25)21-5-2-1-3-6-21)15-26(38)37-17-19-9-11-36-12-10-19/h1-3,5-6,9-14,16,22,25,27H,4,7-8,15,17-18H2,(H,37,38)/t22-,25+,27-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50281189
PNG
((S)-Piperazine-1,2,4-tricarboxylic acid 4-dipentyl...)
Show SMILES CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCN(C)Cc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H56N6O4/c1-5-7-17-26-43(27-18-8-6-2)39(48)44-29-30-45(40(49)46(34-20-11-9-12-21-34)35-22-13-10-14-23-35)36(32-44)38(47)41-25-28-42(3)31-33-19-15-16-24-37(33)50-4/h9-16,19-24,36H,5-8,17-18,25-32H2,1-4H3,(H,41,47)/t36-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cells


Bioorg Med Chem Lett 3: 2707-2712 (1993)


Article DOI: 10.1016/S0960-894X(01)80747-2
BindingDB Entry DOI: 10.7270/Q23F4PKF
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50281196
PNG
((S)-Piperazine-1,2,4-tricarboxylic acid 4-dipentyl...)
Show SMILES CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCNCc1ccccc1OC)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H54N6O4/c1-4-6-16-26-42(27-17-7-5-2)38(47)43-28-29-44(39(48)45(33-19-10-8-11-20-33)34-21-12-9-13-22-34)35(31-43)37(46)41-25-24-40-30-32-18-14-15-23-36(32)49-3/h8-15,18-23,35,40H,4-7,16-17,24-31H2,1-3H3,(H,41,46)/t35-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cells


Bioorg Med Chem Lett 3: 2707-2712 (1993)


Article DOI: 10.1016/S0960-894X(01)80747-2
BindingDB Entry DOI: 10.7270/Q23F4PKF
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070138
PNG
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50154571
PNG
(1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-di...)
Show SMILES NC(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21F6NO/c25-23(26,27)19-11-16(12-20(13-19)24(28,29)30)14-32-15-21(31)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,21-22H,14-15,31H2
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Article
n/an/a 10.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50281194
PNG
((S)-Piperazine-1,2,4-tricarboxylic acid 2-[(2-diet...)
Show SMILES CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCN(CC)CC)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H54N6O3/c1-5-9-17-24-38(25-18-10-6-2)34(43)39-27-28-40(32(29-39)33(42)36-23-26-37(7-3)8-4)35(44)41(30-19-13-11-14-20-30)31-21-15-12-16-22-31/h11-16,19-22,32H,5-10,17-18,23-29H2,1-4H3,(H,36,42)/t32-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cells


Bioorg Med Chem Lett 3: 2707-2712 (1993)


Article DOI: 10.1016/S0960-894X(01)80747-2
BindingDB Entry DOI: 10.7270/Q23F4PKF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070140
PNG
(CHEMBL13102 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-14(22)21-16-4-2-15(3-5-16)10-11-20-12-18(24)13-25-19-8-6-17(23)7-9-19/h2-9,18,20,23-24H,10-13H2,1H3,(H,21,22)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50284632
PNG
((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-me...)
Show SMILES CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
Show InChI InChI=1S/C21H21F6NO/c1-28-9-5-8-18(19(28)15-6-3-2-4-7-15)29-13-14-10-16(20(22,23)24)12-17(11-14)21(25,26)27/h2-4,6-7,10-12,18-19H,5,8-9,13H2,1H3/t18-,19-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cells


Bioorg Med Chem Lett 5: 1345-1350 (1995)


Article DOI: 10.1016/0960-894X(95)00220-N
BindingDB Entry DOI: 10.7270/Q2416X13
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50407838
PNG
(CHEMBL2112243)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C51H53N7O7/c1-31(59)45-50(64)56-43(27-33-16-6-3-7-17-33)51(65)58-25-13-24-44(58)49(63)55-41(28-35-20-12-19-34-18-8-9-21-37(34)35)46(60)54-42(29-36-30-52-39-23-11-10-22-38(36)39)47(61)53-40(48(62)57-45)26-32-14-4-2-5-15-32/h2-12,14-23,30-31,40-45,52,59H,13,24-29H2,1H3,(H,53,61)(H,54,60)(H,55,63)(H,56,64)(H,57,62)/t31-,40+,41+,42-,43+,44+,45+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of Tachykinin receptor 1


J Med Chem 39: 2441-8 (1996)


Article DOI: 10.1021/jm960281e
BindingDB Entry DOI: 10.7270/Q2P84CJT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070149
PNG
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)
Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
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