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144 similar compounds to monomer 50000743

Compile data set for download or QSAR
Wt: 3843.4
BDBM82394
Wt: 1903.1
BDBM82281
Wt: 2456.8
BDBM82285
Wt: 2229.5
BDBM82292
Wt: 3167.6
BDBM85840
Wt: 1517.7
BDBM85792
Wt: 3049.4
BDBM85842
Wt: 1945.2
BDBM85794
Wt: 2101.2
BDBM85202
Wt: 3231.7
BDBM85836
Wt: 3131.6
BDBM85838
Wt: 2936.3
BDBM85374
Wt: 2967.3
BDBM85375
Wt: 2206.5
BDBM85377
Wt: 1052.2
BDBM50405191
Displayed 1 to 15 (of 144 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 82394,82281,82285,82292,85840,85792,85842,85794,85202,85836,85838,85374,85375,85377,50405191   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAMP1


(PIG)
BDBM85836
PNG
([N-benzol]h alpha-CGRP8-37)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NCc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C146H236N44O39/c1-71(2)52-93(168-109(201)65-162-120(205)79(17)166-127(212)94(53-72(3)4)175-125(210)90(40-31-49-158-145(153)154)170-130(215)97(57-86-62-157-70-165-86)180-143(228)118(82(20)195)189-139(224)112(74(7)8)161-61-85-43-45-87(196)46-44-85)128(213)176-95(54-73(5)6)129(214)183-103(69-193)136(221)172-91(41-32-50-159-146(155)156)126(211)182-101(67-191)122(207)163-63-108(200)160-64-111(203)184-114(76(11)12)141(226)186-115(77(13)14)140(225)173-89(39-28-30-48-148)124(209)178-98(58-105(149)197)132(217)179-99(59-106(150)198)131(216)177-96(56-84-36-25-22-26-37-84)133(218)187-116(78(15)16)144(229)190-51-33-42-104(190)137(222)188-117(81(19)194)142(227)181-100(60-107(151)199)134(219)185-113(75(9)10)138(223)164-66-110(202)169-102(68-192)135(220)171-88(38-27-29-47-147)123(208)167-80(18)121(206)174-92(119(152)204)55-83-34-23-21-24-35-83/h21-26,34-37,43-46,62,70-82,88-104,112-118,161,191-196H,27-33,38-42,47-61,63-69,147-148H2,1-20H3,(H2,149,197)(H2,150,198)(H2,151,199)(H2,152,204)(H,157,165)(H,160,200)(H,162,205)(H,163,207)(H,164,223)(H,166,212)(H,167,208)(H,168,201)(H,169,202)(H,170,215)(H,171,220)(H,172,221)(H,173,225)(H,174,206)(H,175,210)(H,176,213)(H,177,216)(H,178,209)(H,179,217)(H,180,228)(H,181,227)(H,182,211)(H,183,214)(H,184,203)(H,185,219)(H,186,226)(H,187,218)(H,188,222)(H,189,224)(H4,153,154,158)(H4,155,156,159)/t79-,80-,81+,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,112-,113-,114-,115-,116-,117-,118-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.0720n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
NPY2R


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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.117n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM82281
PNG
(NPY22-36, porcine | NPY22-36, rat, human)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C85H139N29O21/c1-11-43(7)65(112-79(132)60(35-48-21-25-51(118)26-22-48)109-76(129)61(36-49-38-96-40-100-49)110-73(126)54(17-14-30-98-84(92)93)103-75(128)58(32-41(3)4)107-69(122)45(9)101-70(123)52(86)39-115)80(133)111-62(37-64(88)120)77(130)108-59(33-42(5)6)78(131)113-66(44(8)12-2)81(134)114-67(46(10)116)82(135)105-55(18-15-31-99-85(94)95)71(124)104-56(27-28-63(87)119)74(127)102-53(16-13-29-97-83(90)91)72(125)106-57(68(89)121)34-47-19-23-50(117)24-20-47/h19-26,38,40-46,52-62,65-67,115-118H,11-18,27-37,39,86H2,1-10H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,100)(H,101,123)(H,102,127)(H,103,128)(H,104,124)(H,105,135)(H,106,125)(H,107,122)(H,108,130)(H,109,129)(H,110,126)(H,111,133)(H,112,132)(H,113,131)(H,114,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.136n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
NPY2R


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

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.181n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
NPY2R


(RAT)
BDBM85792
PNG
(PYY, N-alpha-Ac, 25-36)
Show SMILES CCC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C69H108N22O17/c1-9-35(5)27-48(86-62(103)51(31-53(71)97)88-66(107)55(36(6)10-2)90-64(105)49(29-40-17-21-43(95)22-18-40)87-61(102)50(81-38(8)93)30-41-32-77-33-80-41)63(104)89-54(34(3)4)65(106)91-56(37(7)92)67(108)84-45(14-12-26-79-69(75)76)58(99)83-46(23-24-52(70)96)60(101)82-44(13-11-25-78-68(73)74)59(100)85-47(57(72)98)28-39-15-19-42(94)20-16-39/h15-22,32-37,44-51,54-56,92,94-95H,9-14,23-31H2,1-8H3,(H2,70,96)(H2,71,97)(H2,72,98)(H,77,80)(H,81,93)(H,82,101)(H,83,99)(H,84,108)(H,85,100)(H,86,103)(H,87,102)(H,88,107)(H,89,104)(H,90,105)(H,91,106)(H4,73,74,78)(H4,75,76,79)/t35?,36-,37+,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-,56-/m0/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.210n/an/an/an/an/an/an/an/a



U410

Curated by PDSP Ki Database




Mol Pharmacol 60: 124-34 (2001)


BindingDB Entry DOI: 10.7270/Q2C827VN
More data for this
Ligand-Target Pair
CGRP


(PIG)
BDBM85836
PNG
([N-benzol]h alpha-CGRP8-37)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NCc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C146H236N44O39/c1-71(2)52-93(168-109(201)65-162-120(205)79(17)166-127(212)94(53-72(3)4)175-125(210)90(40-31-49-158-145(153)154)170-130(215)97(57-86-62-157-70-165-86)180-143(228)118(82(20)195)189-139(224)112(74(7)8)161-61-85-43-45-87(196)46-44-85)128(213)176-95(54-73(5)6)129(214)183-103(69-193)136(221)172-91(41-32-50-159-146(155)156)126(211)182-101(67-191)122(207)163-63-108(200)160-64-111(203)184-114(76(11)12)141(226)186-115(77(13)14)140(225)173-89(39-28-30-48-148)124(209)178-98(58-105(149)197)132(217)179-99(59-106(150)198)131(216)177-96(56-84-36-25-22-26-37-84)133(218)187-116(78(15)16)144(229)190-51-33-42-104(190)137(222)188-117(81(19)194)142(227)181-100(60-107(151)199)134(219)185-113(75(9)10)138(223)164-66-110(202)169-102(68-192)135(220)171-88(38-27-29-47-147)123(208)167-80(18)121(206)174-92(119(152)204)55-83-34-23-21-24-35-83/h21-26,34-37,43-46,62,70-82,88-104,112-118,161,191-196H,27-33,38-42,47-61,63-69,147-148H2,1-20H3,(H2,149,197)(H2,150,198)(H2,151,199)(H2,152,204)(H,157,165)(H,160,200)(H,162,205)(H,163,207)(H,164,223)(H,166,212)(H,167,208)(H,168,201)(H,169,202)(H,170,215)(H,171,220)(H,172,221)(H,173,225)(H,174,206)(H,175,210)(H,176,213)(H,177,216)(H,178,209)(H,179,217)(H,180,228)(H,181,227)(H,182,211)(H,183,214)(H,184,203)(H,185,219)(H,186,226)(H,187,218)(H,188,222)(H,189,224)(H4,153,154,158)(H4,155,156,159)/t79-,80-,81+,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,112-,113-,114-,115-,116-,117-,118-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.270n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
NPY2R


(RAT)
BDBM85794
PNG
(PYY, N-alpha-Ac, 22-36)
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](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@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/C87H141N29O22/c1-12-44(7)67(114-80(134)61(36-50-22-26-53(121)27-23-50)110-77(131)62(37-51-39-97-41-101-51)111-74(128)55(18-15-31-99-86(93)94)104-76(130)59(33-42(3)4)109-81(135)64(40-117)113-71(125)46(9)102-48(11)119)82(136)112-63(38-66(89)123)78(132)108-60(34-43(5)6)79(133)115-68(45(8)13-2)83(137)116-69(47(10)118)84(138)106-56(19-16-32-100-87(95)96)72(126)105-57(28-29-65(88)122)75(129)103-54(17-14-30-98-85(91)92)73(127)107-58(70(90)124)35-49-20-24-52(120)25-21-49/h20-27,39,41-47,54-64,67-69,117-118,120-121H,12-19,28-38,40H2,1-11H3,(H2,88,122)(H2,89,123)(H2,90,124)(H,97,101)(H,102,119)(H,103,129)(H,104,130)(H,105,126)(H,106,138)(H,107,127)(H,108,132)(H,109,135)(H,110,131)(H,111,128)(H,112,136)(H,113,125)(H,114,134)(H,115,133)(H,116,137)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t44-,45-,46-,47+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-,69-/m0/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
0.540n/an/an/an/an/an/an/an/a



U410

Curated by PDSP Ki Database




Mol Pharmacol 60: 124-34 (2001)


BindingDB Entry DOI: 10.7270/Q2C827VN
More data for this
Ligand-Target Pair
NPY2R


(RAT)
BDBM85792
PNG
(PYY, N-alpha-Ac, 25-36)
Show SMILES CCC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C69H108N22O17/c1-9-35(5)27-48(86-62(103)51(31-53(71)97)88-66(107)55(36(6)10-2)90-64(105)49(29-40-17-21-43(95)22-18-40)87-61(102)50(81-38(8)93)30-41-32-77-33-80-41)63(104)89-54(34(3)4)65(106)91-56(37(7)92)67(108)84-45(14-12-26-79-69(75)76)58(99)83-46(23-24-52(70)96)60(101)82-44(13-11-25-78-68(73)74)59(100)85-47(57(72)98)28-39-15-19-42(94)20-16-39/h15-22,32-37,44-51,54-56,92,94-95H,9-14,23-31H2,1-8H3,(H2,70,96)(H2,71,97)(H2,72,98)(H,77,80)(H,81,93)(H,82,101)(H,83,99)(H,84,108)(H,85,100)(H,86,103)(H,87,102)(H,88,107)(H,89,104)(H,90,105)(H,91,106)(H4,73,74,78)(H4,75,76,79)/t35?,36-,37+,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-,56-/m0/s1
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars

PubMed
0.770n/an/an/an/an/an/an/an/a



U410

Curated by PDSP Ki Database




Mol Pharmacol 60: 124-34 (2001)


BindingDB Entry DOI: 10.7270/Q2C827VN
More data for this
Ligand-Target Pair
CGRP


(PIG)
BDBM85840
PNG
([N-acetyl]h alpha-CGRP8-37)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C141H232N44O39/c1-67(2)49-88(163-104(196)61-156-115(200)75(17)160-122(207)89(50-68(3)4)170-120(205)85(41-32-46-153-140(148)149)165-125(210)92(54-82-58-152-66-159-82)175-138(223)113(78(20)190)184-135(220)108(71(9)10)162-79(21)191)123(208)171-90(51-69(5)6)124(209)178-98(65-188)131(216)167-86(42-33-47-154-141(150)151)121(206)177-96(63-186)117(202)157-59-103(195)155-60-106(198)179-109(72(11)12)136(221)181-110(73(13)14)134(219)168-84(40-29-31-45-143)119(204)173-93(55-100(144)192)127(212)174-94(56-101(145)193)126(211)172-91(53-81-37-26-23-27-38-81)128(213)182-111(74(15)16)139(224)185-48-34-43-99(185)132(217)183-112(77(19)189)137(222)176-95(57-102(146)194)129(214)180-107(70(7)8)133(218)158-62-105(197)164-97(64-187)130(215)166-83(39-28-30-44-142)118(203)161-76(18)116(201)169-87(114(147)199)52-80-35-24-22-25-36-80/h22-27,35-38,58,66-78,83-99,107-113,186-190H,28-34,39-57,59-65,142-143H2,1-21H3,(H2,144,192)(H2,145,193)(H2,146,194)(H2,147,199)(H,152,159)(H,155,195)(H,156,200)(H,157,202)(H,158,218)(H,160,207)(H,161,203)(H,162,191)(H,163,196)(H,164,197)(H,165,210)(H,166,215)(H,167,216)(H,168,219)(H,169,201)(H,170,205)(H,171,208)(H,172,211)(H,173,204)(H,174,212)(H,175,223)(H,176,222)(H,177,206)(H,178,209)(H,179,198)(H,180,214)(H,181,221)(H,182,213)(H,183,217)(H,184,220)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77+,78+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,107-,108-,109-,110-,111-,112-,113-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
1.30n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
RAMP1


(PIG)
BDBM85840
PNG
([N-acetyl]h alpha-CGRP8-37)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C141H232N44O39/c1-67(2)49-88(163-104(196)61-156-115(200)75(17)160-122(207)89(50-68(3)4)170-120(205)85(41-32-46-153-140(148)149)165-125(210)92(54-82-58-152-66-159-82)175-138(223)113(78(20)190)184-135(220)108(71(9)10)162-79(21)191)123(208)171-90(51-69(5)6)124(209)178-98(65-188)131(216)167-86(42-33-47-154-141(150)151)121(206)177-96(63-186)117(202)157-59-103(195)155-60-106(198)179-109(72(11)12)136(221)181-110(73(13)14)134(219)168-84(40-29-31-45-143)119(204)173-93(55-100(144)192)127(212)174-94(56-101(145)193)126(211)172-91(53-81-37-26-23-27-38-81)128(213)182-111(74(15)16)139(224)185-48-34-43-99(185)132(217)183-112(77(19)189)137(222)176-95(57-102(146)194)129(214)180-107(70(7)8)133(218)158-62-105(197)164-97(64-187)130(215)166-83(39-28-30-44-142)118(203)161-76(18)116(201)169-87(114(147)199)52-80-35-24-22-25-36-80/h22-27,35-38,58,66-78,83-99,107-113,186-190H,28-34,39-57,59-65,142-143H2,1-21H3,(H2,144,192)(H2,145,193)(H2,146,194)(H2,147,199)(H,152,159)(H,155,195)(H,156,200)(H,157,202)(H,158,218)(H,160,207)(H,161,203)(H,162,191)(H,163,196)(H,164,197)(H,165,210)(H,166,215)(H,167,216)(H,168,219)(H,169,201)(H,170,205)(H,171,208)(H,172,211)(H,173,204)(H,174,212)(H,175,223)(H,176,222)(H,177,206)(H,178,209)(H,179,198)(H,180,214)(H,181,221)(H,182,213)(H,183,217)(H,184,220)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77+,78+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,107-,108-,109-,110-,111-,112-,113-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
1.30n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
NPY5R


(Chicken)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.66n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




J Neurochem 81: 462-71 (2002)


BindingDB Entry DOI: 10.7270/Q2T72G1G
More data for this
Ligand-Target Pair
NPY2R


(RAT)
BDBM85794
PNG
(PYY, N-alpha-Ac, 22-36)
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](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@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/C87H141N29O22/c1-12-44(7)67(114-80(134)61(36-50-22-26-53(121)27-23-50)110-77(131)62(37-51-39-97-41-101-51)111-74(128)55(18-15-31-99-86(93)94)104-76(130)59(33-42(3)4)109-81(135)64(40-117)113-71(125)46(9)102-48(11)119)82(136)112-63(38-66(89)123)78(132)108-60(34-43(5)6)79(133)115-68(45(8)13-2)83(137)116-69(47(10)118)84(138)106-56(19-16-32-100-87(95)96)72(126)105-57(28-29-65(88)122)75(129)103-54(17-14-30-98-85(91)92)73(127)107-58(70(90)124)35-49-20-24-52(120)25-21-49/h20-27,39,41-47,54-64,67-69,117-118,120-121H,12-19,28-38,40H2,1-11H3,(H2,88,122)(H2,89,123)(H2,90,124)(H,97,101)(H,102,119)(H,103,129)(H,104,130)(H,105,126)(H,106,138)(H,107,127)(H,108,132)(H,109,135)(H,110,131)(H,111,128)(H,112,136)(H,113,125)(H,114,134)(H,115,133)(H,116,137)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t44-,45-,46-,47+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-,69-/m0/s1
Reactome pathway
KEGG

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
1.66n/an/an/an/an/an/an/an/a



U410

Curated by PDSP Ki Database




Mol Pharmacol 60: 124-34 (2001)


BindingDB Entry DOI: 10.7270/Q2C827VN
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
2.39n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM82292
PNG
(NPY20-36, porcine | NPY26-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C103H157N31O25/c1-11-53(7)81(98(157)130-77(47-80(106)142)94(153)127-73(41-52(5)6)95(154)133-82(54(8)12-2)99(158)134-83(56(10)136)100(159)123-69(18-15-39-117-103(112)113)87(146)122-70(35-36-79(105)141)90(149)120-67(16-13-37-115-101(108)109)88(147)124-71(84(107)143)43-58-21-29-63(138)30-22-58)132-96(155)75(45-60-25-33-65(140)34-26-60)128-93(152)76(46-61-48-114-50-118-61)129-89(148)68(17-14-38-116-102(110)111)121-91(150)72(40-51(3)4)125-85(144)55(9)119-97(156)78(49-135)131-92(151)74(44-59-23-31-64(139)32-24-59)126-86(145)66(104)42-57-19-27-62(137)28-20-57/h19-34,48,50-56,66-78,81-83,135-140H,11-18,35-47,49,104H2,1-10H3,(H2,105,141)(H2,106,142)(H2,107,143)(H,114,118)(H,119,156)(H,120,149)(H,121,150)(H,122,146)(H,123,159)(H,124,147)(H,125,144)(H,126,145)(H,127,153)(H,128,152)(H,129,148)(H,130,157)(H,131,151)(H,132,155)(H,133,154)(H,134,158)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1
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3.54n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26758-61 (1995)


Article DOI: 10.1074/jbc.270.45.26758
BindingDB Entry DOI: 10.7270/Q2Q23XSF
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM82292
PNG
(NPY20-36, porcine | NPY26-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C103H157N31O25/c1-11-53(7)81(98(157)130-77(47-80(106)142)94(153)127-73(41-52(5)6)95(154)133-82(54(8)12-2)99(158)134-83(56(10)136)100(159)123-69(18-15-39-117-103(112)113)87(146)122-70(35-36-79(105)141)90(149)120-67(16-13-37-115-101(108)109)88(147)124-71(84(107)143)43-58-21-29-63(138)30-22-58)132-96(155)75(45-60-25-33-65(140)34-26-60)128-93(152)76(46-61-48-114-50-118-61)129-89(148)68(17-14-38-116-102(110)111)121-91(150)72(40-51(3)4)125-85(144)55(9)119-97(156)78(49-135)131-92(151)74(44-59-23-31-64(139)32-24-59)126-86(145)66(104)42-57-19-27-62(137)28-20-57/h19-34,48,50-56,66-78,81-83,135-140H,11-18,35-47,49,104H2,1-10H3,(H2,105,141)(H2,106,142)(H2,107,143)(H,114,118)(H,119,156)(H,120,149)(H,121,150)(H,122,146)(H,123,159)(H,124,147)(H,125,144)(H,126,145)(H,127,153)(H,128,152)(H,129,148)(H,130,157)(H,131,151)(H,132,155)(H,133,154)(H,134,158)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1
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3.55n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of rabbit plasma renin.


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human kidney renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
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9.33n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
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9.33n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26758-61 (1995)


Article DOI: 10.1074/jbc.270.45.26758
BindingDB Entry DOI: 10.7270/Q2Q23XSF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human kidney renin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of porcine pepsin.


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
VIP


(RAT)
BDBM82394
PNG
(CAS_89468-62-2 | Helodermin)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C176H285N47O49/c1-23-93(15)138(217-146(243)98(20)194-159(256)124(78-137(237)238)210-167(264)126(82-225)214-147(244)107(180)77-104-79-187-86-190-104)169(266)212-123(74-101-38-26-25-27-39-101)164(261)220-140(99(21)229)171(268)202-114(57-60-135(183)235)153(250)200-113(56-59-134(182)234)154(251)209-122(76-103-49-53-106(232)54-50-103)163(260)215-127(83-226)166(263)198-110(42-30-33-63-179)150(247)205-120(73-92(13)14)161(258)206-117(70-89(7)8)157(254)191-95(17)143(240)196-108(40-28-31-61-177)149(246)204-116(69-88(5)6)156(253)192-96(18)144(241)203-119(72-91(11)12)160(257)201-112(55-58-133(181)233)152(249)197-109(41-29-32-62-178)151(248)208-121(75-102-47-51-105(231)52-48-102)162(259)207-118(71-90(9)10)158(255)193-97(19)145(242)213-128(84-227)168(265)218-139(94(16)24-2)170(267)211-115(68-87(3)4)148(245)189-80-136(236)195-125(81-224)165(262)199-111(43-34-64-188-176(185)186)155(252)219-141(100(22)230)172(269)216-129(85-228)173(270)222-66-36-45-131(222)175(272)223-67-37-46-132(223)174(271)221-65-35-44-130(221)142(184)239/h25-27,38-39,47-54,79,86-100,107-132,138-141,224-232H,23-24,28-37,40-46,55-78,80-85,177-180H2,1-22H3,(H2,181,233)(H2,182,234)(H2,183,235)(H2,184,239)(H,187,190)(H,189,245)(H,191,254)(H,192,253)(H,193,255)(H,194,256)(H,195,236)(H,196,240)(H,197,249)(H,198,263)(H,199,262)(H,200,250)(H,201,257)(H,202,268)(H,203,241)(H,204,246)(H,205,247)(H,206,258)(H,207,259)(H,208,248)(H,209,251)(H,210,264)(H,211,267)(H,212,266)(H,213,242)(H,214,244)(H,215,260)(H,216,269)(H,217,243)(H,218,265)(H,219,252)(H,220,261)(H,237,238)(H4,185,186,188)/t93-,94-,95-,96-,97-,98-,99+,100+,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-,138-,139-,140-,141-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
30n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Regul Pept 54: 397-407 (1994)


BindingDB Entry DOI: 10.7270/Q20C4T9W
More data for this
Ligand-Target Pair
CGRP


(PIG)
BDBM85838
PNG
([Cha37]h alpha-CGRP8-37)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C139H236N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h22,25-26,36-37,57,65-78,81-97,105-111,184-188H,21,23-24,27-35,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
32.7n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM82281
PNG
(NPY22-36, porcine | NPY22-36, rat, human)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C85H139N29O21/c1-11-43(7)65(112-79(132)60(35-48-21-25-51(118)26-22-48)109-76(129)61(36-49-38-96-40-100-49)110-73(126)54(17-14-30-98-84(92)93)103-75(128)58(32-41(3)4)107-69(122)45(9)101-70(123)52(86)39-115)80(133)111-62(37-64(88)120)77(130)108-59(33-42(5)6)78(131)113-66(44(8)12-2)81(134)114-67(46(10)116)82(135)105-55(18-15-31-99-85(94)95)71(124)104-56(27-28-63(87)119)74(127)102-53(16-13-29-97-83(90)91)72(125)106-57(68(89)121)34-47-19-23-50(117)24-20-47/h19-26,38,40-46,52-62,65-67,115-118H,11-18,27-37,39,86H2,1-10H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,100)(H,101,123)(H,102,127)(H,103,128)(H,104,124)(H,105,135)(H,106,125)(H,107,122)(H,108,130)(H,109,129)(H,110,126)(H,111,133)(H,112,132)(H,113,131)(H,114,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26758-61 (1995)


Article DOI: 10.1074/jbc.270.45.26758
BindingDB Entry DOI: 10.7270/Q2Q23XSF
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM82281
PNG
(NPY22-36, porcine | NPY22-36, rat, human)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C85H139N29O21/c1-11-43(7)65(112-79(132)60(35-48-21-25-51(118)26-22-48)109-76(129)61(36-49-38-96-40-100-49)110-73(126)54(17-14-30-98-84(92)93)103-75(128)58(32-41(3)4)107-69(122)45(9)101-70(123)52(86)39-115)80(133)111-62(37-64(88)120)77(130)108-59(33-42(5)6)78(131)113-66(44(8)12-2)81(134)114-67(46(10)116)82(135)105-55(18-15-31-99-85(94)95)71(124)104-56(27-28-63(87)119)74(127)102-53(16-13-29-97-83(90)91)72(125)106-57(68(89)121)34-47-19-23-50(117)24-20-47/h19-26,38,40-46,52-62,65-67,115-118H,11-18,27-37,39,86H2,1-10H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,100)(H,101,123)(H,102,127)(H,103,128)(H,104,124)(H,105,135)(H,106,125)(H,107,122)(H,108,130)(H,109,129)(H,110,126)(H,111,133)(H,112,132)(H,113,131)(H,114,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
37.1n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
RAMP1


(PIG)
BDBM85838
PNG
([Cha37]h alpha-CGRP8-37)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)C(N)=O
Show InChI InChI=1S/C139H236N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h22,25-26,36-37,57,65-78,81-97,105-111,184-188H,21,23-24,27-35,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
37.9n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM82292
PNG
(NPY20-36, porcine | NPY26-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C103H157N31O25/c1-11-53(7)81(98(157)130-77(47-80(106)142)94(153)127-73(41-52(5)6)95(154)133-82(54(8)12-2)99(158)134-83(56(10)136)100(159)123-69(18-15-39-117-103(112)113)87(146)122-70(35-36-79(105)141)90(149)120-67(16-13-37-115-101(108)109)88(147)124-71(84(107)143)43-58-21-29-63(138)30-22-58)132-96(155)75(45-60-25-33-65(140)34-26-60)128-93(152)76(46-61-48-114-50-118-61)129-89(148)68(17-14-38-116-102(110)111)121-91(150)72(40-51(3)4)125-85(144)55(9)119-97(156)78(49-135)131-92(151)74(44-59-23-31-64(139)32-24-59)126-86(145)66(104)42-57-19-27-62(137)28-20-57/h19-34,48,50-56,66-78,81-83,135-140H,11-18,35-47,49,104H2,1-10H3,(H2,105,141)(H2,106,142)(H2,107,143)(H,114,118)(H,119,156)(H,120,149)(H,121,150)(H,122,146)(H,123,159)(H,124,147)(H,125,144)(H,126,145)(H,127,153)(H,128,152)(H,129,148)(H,130,157)(H,131,151)(H,132,155)(H,133,154)(H,134,158)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
63n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26758-61 (1995)


Article DOI: 10.1074/jbc.270.45.26758
BindingDB Entry DOI: 10.7270/Q2Q23XSF
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM82292
PNG
(NPY20-36, porcine | NPY26-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C103H157N31O25/c1-11-53(7)81(98(157)130-77(47-80(106)142)94(153)127-73(41-52(5)6)95(154)133-82(54(8)12-2)99(158)134-83(56(10)136)100(159)123-69(18-15-39-117-103(112)113)87(146)122-70(35-36-79(105)141)90(149)120-67(16-13-37-115-101(108)109)88(147)124-71(84(107)143)43-58-21-29-63(138)30-22-58)132-96(155)75(45-60-25-33-65(140)34-26-60)128-93(152)76(46-61-48-114-50-118-61)129-89(148)68(17-14-38-116-102(110)111)121-91(150)72(40-51(3)4)125-85(144)55(9)119-97(156)78(49-135)131-92(151)74(44-59-23-31-64(139)32-24-59)126-86(145)66(104)42-57-19-27-62(137)28-20-57/h19-34,48,50-56,66-78,81-83,135-140H,11-18,35-47,49,104H2,1-10H3,(H2,105,141)(H2,106,142)(H2,107,143)(H,114,118)(H,119,156)(H,120,149)(H,121,150)(H,122,146)(H,123,159)(H,124,147)(H,125,144)(H,126,145)(H,127,153)(H,128,152)(H,129,148)(H,130,157)(H,131,151)(H,132,155)(H,133,154)(H,134,158)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1
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63.1n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM82292
PNG
(NPY20-36, porcine | NPY26-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C103H157N31O25/c1-11-53(7)81(98(157)130-77(47-80(106)142)94(153)127-73(41-52(5)6)95(154)133-82(54(8)12-2)99(158)134-83(56(10)136)100(159)123-69(18-15-39-117-103(112)113)87(146)122-70(35-36-79(105)141)90(149)120-67(16-13-37-115-101(108)109)88(147)124-71(84(107)143)43-58-21-29-63(138)30-22-58)132-96(155)75(45-60-25-33-65(140)34-26-60)128-93(152)76(46-61-48-114-50-118-61)129-89(148)68(17-14-38-116-102(110)111)121-91(150)72(40-51(3)4)125-85(144)55(9)119-97(156)78(49-135)131-92(151)74(44-59-23-31-64(139)32-24-59)126-86(145)66(104)42-57-19-27-62(137)28-20-57/h19-34,48,50-56,66-78,81-83,135-140H,11-18,35-47,49,104H2,1-10H3,(H2,105,141)(H2,106,142)(H2,107,143)(H,114,118)(H,119,156)(H,120,149)(H,121,150)(H,122,146)(H,123,159)(H,124,147)(H,125,144)(H,126,145)(H,127,153)(H,128,152)(H,129,148)(H,130,157)(H,131,151)(H,132,155)(H,133,154)(H,134,158)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1
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77.1n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
NPY2R


(GUINEA PIG)
BDBM85374
PNG
(NPY8-20, Pro34, Ahx)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C135H207N39O35/c1-11-72(8)108(128(205)166-96(63-104(139)183)118(195)161-91(56-70(4)5)120(197)169-107(71(6)7)127(204)171-109(74(10)177)129(206)158-88(26-19-51-151-135(145)146)132(209)173-53-21-28-101(173)124(201)156-86(25-18-50-150-134(143)144)113(190)159-89(110(140)187)58-76-33-41-81(179)42-34-76)170-121(198)93(60-78-37-45-83(181)46-38-78)162-117(194)94(61-79-65-147-68-152-79)163-114(191)85(24-17-49-149-133(141)142)155-115(192)90(55-69(2)3)160-111(188)73(9)153-122(199)98(66-175)167-116(193)92(59-77-35-43-82(180)44-36-77)154-105(184)30-13-12-16-48-148-112(189)95(62-103(138)182)164-119(196)97(64-106(185)186)165-125(202)102-29-22-54-174(102)131(208)87(23-14-15-47-136)157-123(200)99(67-176)168-126(203)100-27-20-52-172(100)130(207)84(137)57-75-31-39-80(178)40-32-75/h31-46,65,68-74,84-102,107-109,175-181H,11-30,47-64,66-67,136-137H2,1-10H3,(H2,138,182)(H2,139,183)(H2,140,187)(H,147,152)(H,148,189)(H,153,199)(H,154,184)(H,155,192)(H,156,201)(H,157,200)(H,158,206)(H,159,190)(H,160,188)(H,161,195)(H,162,194)(H,163,191)(H,164,196)(H,165,202)(H,166,205)(H,167,193)(H,168,203)(H,169,197)(H,170,198)(H,171,204)(H,185,186)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t72-,73-,74+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,107-,108-,109-/m0/s1
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85.3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair
NPY1R


(RAT)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
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100n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Peptides 20: 1043-53 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2BR8QQF
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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115n/an/an/an/an/an/a6.0n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of rat plasma renin at pH of 6.0.


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
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194n/an/an/an/an/an/an/an/a



Bayer Corporation

Curated by PDSP Ki Database




J Biol Chem 271: 26315-9 (1996)


Article DOI: 10.1074/jbc.271.42.26315
BindingDB Entry DOI: 10.7270/Q20G3HPR
More data for this
Ligand-Target Pair
Rhizopuspepsin


(Rhizopus chinensis)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
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200n/an/an/an/an/an/a7.4n/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rhizopuspepsin


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
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206n/an/an/an/an/an/an/an/a



Bayer Corporation

Curated by PDSP Ki Database




J Biol Chem 271: 26315-9 (1996)


Article DOI: 10.1074/jbc.271.42.26315
BindingDB Entry DOI: 10.7270/Q20G3HPR
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PubMed
210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of rabbit liver cathepsin D.


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
Reactome pathway
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213n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26758-61 (1995)


Article DOI: 10.1074/jbc.270.45.26758
BindingDB Entry DOI: 10.7270/Q2Q23XSF
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
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214n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
NPY1R


(GUINEA PIG)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
UniProtKB/SwissProt

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260n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Peptides 20: 1043-53 (1999)


Article DOI: 10.1016/j.bioorg.2015.10.003
BindingDB Entry DOI: 10.7270/Q2BR8QQF
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM82292
PNG
(NPY20-36, porcine | NPY26-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C103H157N31O25/c1-11-53(7)81(98(157)130-77(47-80(106)142)94(153)127-73(41-52(5)6)95(154)133-82(54(8)12-2)99(158)134-83(56(10)136)100(159)123-69(18-15-39-117-103(112)113)87(146)122-70(35-36-79(105)141)90(149)120-67(16-13-37-115-101(108)109)88(147)124-71(84(107)143)43-58-21-29-63(138)30-22-58)132-96(155)75(45-60-25-33-65(140)34-26-60)128-93(152)76(46-61-48-114-50-118-61)129-89(148)68(17-14-38-116-102(110)111)121-91(150)72(40-51(3)4)125-85(144)55(9)119-97(156)78(49-135)131-92(151)74(44-59-23-31-64(139)32-24-59)126-86(145)66(104)42-57-19-27-62(137)28-20-57/h19-34,48,50-56,66-78,81-83,135-140H,11-18,35-47,49,104H2,1-10H3,(H2,105,141)(H2,106,142)(H2,107,143)(H,114,118)(H,119,156)(H,120,149)(H,121,150)(H,122,146)(H,123,159)(H,124,147)(H,125,144)(H,126,145)(H,127,153)(H,128,152)(H,129,148)(H,130,157)(H,131,151)(H,132,155)(H,133,154)(H,134,158)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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309n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
CGRP


(PIG)
BDBM85842
PNG
([Ala37]h alpha-CGRP8-37)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C133H226N44O38/c1-61(2)44-80(156-96(187)55-149-107(191)70(18)154-114(198)81(45-62(3)4)162-112(196)78(36-29-41-146-132(141)142)158-117(201)84(48-75-52-145-60-152-75)167-130(214)105(73(21)182)176-125(209)99(139)64(7)8)115(199)163-82(46-63(5)6)116(200)170-90(59-180)123(207)160-79(37-30-42-147-133(143)144)113(197)169-88(57-178)109(193)150-53-95(186)148-54-98(189)171-101(66(11)12)128(212)173-102(67(13)14)127(211)161-77(35-26-28-40-135)111(195)165-85(49-92(136)183)119(203)166-86(50-93(137)184)118(202)164-83(47-74-32-23-22-24-33-74)120(204)174-103(68(15)16)131(215)177-43-31-38-91(177)124(208)175-104(72(20)181)129(213)168-87(51-94(138)185)121(205)172-100(65(9)10)126(210)151-56-97(188)157-89(58-179)122(206)159-76(34-25-27-39-134)110(194)155-71(19)108(192)153-69(17)106(140)190/h22-24,32-33,52,60-73,76-91,99-105,178-182H,25-31,34-51,53-59,134-135,139H2,1-21H3,(H2,136,183)(H2,137,184)(H2,138,185)(H2,140,190)(H,145,152)(H,148,186)(H,149,191)(H,150,193)(H,151,210)(H,153,192)(H,154,198)(H,155,194)(H,156,187)(H,157,188)(H,158,201)(H,159,206)(H,160,207)(H,161,211)(H,162,196)(H,163,199)(H,164,202)(H,165,195)(H,166,203)(H,167,214)(H,168,213)(H,169,197)(H,170,200)(H,171,189)(H,172,205)(H,173,212)(H,174,204)(H,175,208)(H,176,209)(H4,141,142,146)(H4,143,144,147)/t69-,70-,71-,72+,73+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-,101-,102-,103-,104-,105-/m0/s1
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500n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
KEGG

UniProtKB/SwissProt

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618n/an/an/an/an/an/an/an/a



Bayer Corporation

Curated by PDSP Ki Database




J Biol Chem 271: 26315-9 (1996)


Article DOI: 10.1074/jbc.271.42.26315
BindingDB Entry DOI: 10.7270/Q20G3HPR
More data for this
Ligand-Target Pair
Renin


(Rhizopus chinensis)
BDBM50405191
PNG
(CHEMBL269752)
Show SMILES CC[C@](C)(N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H77N13O9/c1-7-54(6,56)53(76)66-43(26-37-29-58-31-60-37)52(75)67-20-14-19-44(67)51(74)65-41(24-35-17-12-9-13-18-35)49(72)64-42(25-36-28-57-30-59-36)50(73)62-38(21-32(2)3)45(68)27-46(69)61-40(22-33(4)5)48(71)63-39(47(55)70)23-34-15-10-8-11-16-34/h8-13,15-18,28-33,38-45,68H,7,14,19-27,56H2,1-6H3,(H2,55,70)(H,57,59)(H,58,60)(H,61,69)(H,62,73)(H,63,71)(H,64,72)(H,65,74)(H,66,76)/t38?,39-,40-,41-,42-,43-,44-,45?,54-/m0/s1
PDB
MMDB

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630n/an/an/an/an/an/a7.4n/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor using [3H]epibatidine as radioligand in rat brain tissue


J Med Chem 28: 1779-90 (1986)


Article DOI: 10.1021/jm00150a007
BindingDB Entry DOI: 10.7270/Q2FJ2HC2
More data for this
Ligand-Target Pair
NPFF


(RAT)
BDBM82285
PNG
(NPY 18-36 | NPY18-36 | NPY18-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C112H174N36O27/c1-12-57(7)87(106(173)144-83(51-86(115)156)102(169)139-78(45-56(5)6)103(170)147-88(58(8)13-2)107(174)148-89(61(11)150)108(175)136-74(21-17-43-129-112(123)124)93(160)135-75(38-39-85(114)155)97(164)133-72(19-15-41-127-110(119)120)94(161)137-76(90(116)157)46-62-22-30-67(151)31-23-62)146-104(171)81(49-65-28-36-70(154)37-29-65)142-101(168)82(50-66-52-125-54-130-66)143-96(163)73(20-16-42-128-111(121)122)134-98(165)77(44-55(3)4)138-92(159)60(10)131-105(172)84(53-149)145-100(167)80(48-64-26-34-69(153)35-27-64)141-99(166)79(47-63-24-32-68(152)33-25-63)140-95(162)71(132-91(158)59(9)113)18-14-40-126-109(117)118/h22-37,52,54-61,71-84,87-89,149-154H,12-21,38-51,53,113H2,1-11H3,(H2,114,155)(H2,115,156)(H2,116,157)(H,125,130)(H,131,172)(H,132,158)(H,133,164)(H,134,165)(H,135,160)(H,136,175)(H,137,161)(H,138,159)(H,139,169)(H,140,162)(H,141,166)(H,142,168)(H,143,163)(H,144,173)(H,145,167)(H,146,171)(H,147,170)(H,148,174)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1
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860n/an/an/an/an/an/an/an/a



Juvantia Pharma, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 825-32 (2003)


Article DOI: 10.1124/jpet.102.047118
BindingDB Entry DOI: 10.7270/Q2WS8RS2
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM82281
PNG
(NPY22-36, porcine | NPY22-36, rat, human)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C85H139N29O21/c1-11-43(7)65(112-79(132)60(35-48-21-25-51(118)26-22-48)109-76(129)61(36-49-38-96-40-100-49)110-73(126)54(17-14-30-98-84(92)93)103-75(128)58(32-41(3)4)107-69(122)45(9)101-70(123)52(86)39-115)80(133)111-62(37-64(88)120)77(130)108-59(33-42(5)6)78(131)113-66(44(8)12-2)81(134)114-67(46(10)116)82(135)105-55(18-15-31-99-85(94)95)71(124)104-56(27-28-63(87)119)74(127)102-53(16-13-29-97-83(90)91)72(125)106-57(68(89)121)34-47-19-23-50(117)24-20-47/h19-26,38,40-46,52-62,65-67,115-118H,11-18,27-37,39,86H2,1-10H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,100)(H,101,123)(H,102,127)(H,103,128)(H,104,124)(H,105,135)(H,106,125)(H,107,122)(H,108,130)(H,109,129)(H,110,126)(H,111,133)(H,112,132)(H,113,131)(H,114,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Bayer Corporation

Curated by PDSP Ki Database




J Biol Chem 271: 26315-9 (1996)


Article DOI: 10.1074/jbc.271.42.26315
BindingDB Entry DOI: 10.7270/Q20G3HPR
More data for this
Ligand-Target Pair
GALR3


(RAT)
BDBM85202
PNG
(Galanin (10-29), rat)
Show SMILES CCC(C)C(NC(=O)C(C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCCN1C(=O)CNC(=O)C(N)CC(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(N)=O
Show InChI InChI=1S/C91H141N31O27/c1-9-46(6)72(120-75(134)47(7)107-80(139)59(29-51-35-99-42-105-51)116-89(148)66-21-16-24-122(66)69(128)38-103-76(135)53(93)25-44(2)3)90(149)117-63(33-71(131)132)85(144)114-61(31-67(94)126)83(142)113-60(30-52-36-100-43-106-52)82(141)110-55(20-15-23-101-91(96)97)79(138)118-64(39-123)87(146)111-57(27-49-17-11-10-12-18-49)81(140)119-65(40-124)88(147)115-62(32-70(129)130)84(143)109-54(19-13-14-22-92)78(137)112-58(28-50-34-98-41-104-50)77(136)102-37-68(127)108-56(26-45(4)5)86(145)121-73(48(8)125)74(95)133/h10-12,17-18,34-36,41-48,53-66,72-73,123-125H,9,13-16,19-33,37-40,92-93H2,1-8H3,(H2,94,126)(H2,95,133)(H,98,104)(H,99,105)(H,100,106)(H,102,136)(H,103,135)(H,107,139)(H,108,127)(H,109,143)(H,110,141)(H,111,146)(H,112,137)(H,113,142)(H,114,144)(H,115,147)(H,116,148)(H,117,149)(H,118,138)(H,119,140)(H,120,134)(H,121,145)(H,129,130)(H,131,132)(H4,96,97,101)
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1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 272: 31949-52 (1997)


Article DOI: 10.1021/acschembio.5b00291
BindingDB Entry DOI: 10.7270/Q21Z42ZG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM82281
PNG
(NPY22-36, porcine | NPY22-36, rat, human)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C85H139N29O21/c1-11-43(7)65(112-79(132)60(35-48-21-25-51(118)26-22-48)109-76(129)61(36-49-38-96-40-100-49)110-73(126)54(17-14-30-98-84(92)93)103-75(128)58(32-41(3)4)107-69(122)45(9)101-70(123)52(86)39-115)80(133)111-62(37-64(88)120)77(130)108-59(33-42(5)6)78(131)113-66(44(8)12-2)81(134)114-67(46(10)116)82(135)105-55(18-15-31-99-85(94)95)71(124)104-56(27-28-63(87)119)74(127)102-53(16-13-29-97-83(90)91)72(125)106-57(68(89)121)34-47-19-23-50(117)24-20-47/h19-26,38,40-46,52-62,65-67,115-118H,11-18,27-37,39,86H2,1-10H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,100)(H,101,123)(H,102,127)(H,103,128)(H,104,124)(H,105,135)(H,106,125)(H,107,122)(H,108,130)(H,109,129)(H,110,126)(H,111,133)(H,112,132)(H,113,131)(H,114,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM82292
PNG
(NPY20-36, porcine | NPY26-36, porcine)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C103H157N31O25/c1-11-53(7)81(98(157)130-77(47-80(106)142)94(153)127-73(41-52(5)6)95(154)133-82(54(8)12-2)99(158)134-83(56(10)136)100(159)123-69(18-15-39-117-103(112)113)87(146)122-70(35-36-79(105)141)90(149)120-67(16-13-37-115-101(108)109)88(147)124-71(84(107)143)43-58-21-29-63(138)30-22-58)132-96(155)75(45-60-25-33-65(140)34-26-60)128-93(152)76(46-61-48-114-50-118-61)129-89(148)68(17-14-38-116-102(110)111)121-91(150)72(40-51(3)4)125-85(144)55(9)119-97(156)78(49-135)131-92(151)74(44-59-23-31-64(139)32-24-59)126-86(145)66(104)42-57-19-27-62(137)28-20-57/h19-34,48,50-56,66-78,81-83,135-140H,11-18,35-47,49,104H2,1-10H3,(H2,105,141)(H2,106,142)(H2,107,143)(H,114,118)(H,119,156)(H,120,149)(H,121,150)(H,122,146)(H,123,159)(H,124,147)(H,125,144)(H,126,145)(H,127,153)(H,128,152)(H,129,148)(H,130,157)(H,131,151)(H,132,155)(H,133,154)(H,134,158)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




EMBO J 14: 2806-15 (1995)


BindingDB Entry DOI: 10.7270/Q2BK19VW
More data for this
Ligand-Target Pair
NPY5R


(Rat 6B)
BDBM82281
PNG
(NPY22-36, porcine | NPY22-36, rat, human)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C85H139N29O21/c1-11-43(7)65(112-79(132)60(35-48-21-25-51(118)26-22-48)109-76(129)61(36-49-38-96-40-100-49)110-73(126)54(17-14-30-98-84(92)93)103-75(128)58(32-41(3)4)107-69(122)45(9)101-70(123)52(86)39-115)80(133)111-62(37-64(88)120)77(130)108-59(33-42(5)6)78(131)113-66(44(8)12-2)81(134)114-67(46(10)116)82(135)105-55(18-15-31-99-85(94)95)71(124)104-56(27-28-63(87)119)74(127)102-53(16-13-29-97-83(90)91)72(125)106-57(68(89)121)34-47-19-23-50(117)24-20-47/h19-26,38,40-46,52-62,65-67,115-118H,11-18,27-37,39,86H2,1-10H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,100)(H,101,123)(H,102,127)(H,103,128)(H,104,124)(H,105,135)(H,106,125)(H,107,122)(H,108,130)(H,109,129)(H,110,126)(H,111,133)(H,112,132)(H,113,131)(H,114,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Bayer Corporation

Curated by PDSP Ki Database




J Biol Chem 271: 26315-9 (1996)


Article DOI: 10.1074/jbc.271.42.26315
BindingDB Entry DOI: 10.7270/Q20G3HPR
More data for this
Ligand-Target Pair
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