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90 similar compounds to monomer 85822

Compile data set for download or QSAR
Wt: 803.9
BDBM82295
Wt: 1381.5
BDBM86492
Wt: 944.0
BDBM86224
Wt: 815.9
BDBM86226
Wt: 1072.2
BDBM86228
Wt: 580.7
BDBM86477
Wt: 810.8
BDBM85820
Wt: 633.7
BDBM85516
Wt: 1283.2
BDBM85823
Wt: 1381.5
BDBM85748
Wt: 1683.9
BDBM86660
Wt: 390.4
BDBM92369
Wt: 2788.2
BDBM50000744
Wt: 3059.5
BDBM50000747
Wt: 1381.5
BDBM50106479
Displayed 1 to 15 (of 90 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 82295,86492,86224,86226,86228,86477,85820,85516,85823,85748,86660,92369,50000744,50000747,50106479   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.0210n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.0680n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.0760n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86477
PNG
(FE200041 | d-Phe-d-Phe-d-Nle-d-Arg-NH2)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C30H44N8O4/c1-2-3-15-24(28(41)36-23(26(32)39)16-10-17-35-30(33)34)37-29(42)25(19-21-13-8-5-9-14-21)38-27(40)22(31)18-20-11-6-4-7-12-20/h4-9,11-14,22-25H,2-3,10,15-19,31H2,1H3,(H2,32,39)(H,36,41)(H,37,42)(H,38,40)(H4,33,34,35)/t22-,23-,24-,25-/m1/s1
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0.146n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 326-33 (2004)


Article DOI: 10.1124/jpet.104.065391
BindingDB Entry DOI: 10.7270/Q2280665
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM86492
PNG
(CAS_170713-75-4 | NSC_6324645 | Nociceptin)
Show SMILES CC(O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)
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0.180n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
BindingDB Entry DOI: 10.7270/Q2J67FHD
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Louisiana State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 652-60 (2005)


Article DOI: 10.1124/jpet.105.083436
BindingDB Entry DOI: 10.7270/Q2H41Q0Q
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity to human NOP receptor


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM85823
PNG
(OFQ/N (1-11), Iodo[Tyr10])
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C55H79IN16O12/c1-31(47(59)77)67-52(82)42(27-36-19-21-37(56)22-20-36)71-51(81)39(17-10-11-23-57)70-50(80)40(18-12-24-62-55(60)61)69-48(78)32(2)66-44(75)30-65-54(84)46(33(3)73)72-53(83)41(26-35-15-8-5-9-16-35)68-45(76)29-63-43(74)28-64-49(79)38(58)25-34-13-6-4-7-14-34/h4-9,13-16,19-22,31-33,38-42,46,73H,10-12,17-18,23-30,57-58H2,1-3H3,(H2,59,77)(H,63,74)(H,64,79)(H,65,84)(H,66,75)(H,67,82)(H,68,76)(H,69,78)(H,70,80)(H,71,81)(H,72,83)(H4,60,61,62)/t31-,32-,33+,38-,39-,40-,41-,42-,46-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(GUINEA PIG)
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(RAT)
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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2.69n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM85748
PNG
(H-PHE-(R)-GLY-GLY-PHE-THR-GLY-ALA-ARG-LYS-SER-ALA-...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39+,40-,41-,42-,43-,44-,45-,49-/m0/s1
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4.27n/an/an/an/an/an/an/an/a



Leicester Royal Infirmary

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 28-33 (2001)


Article DOI: 10.1021/acschembio.5b00755
BindingDB Entry DOI: 10.7270/Q2TH8K8W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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4.79n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM85823
PNG
(OFQ/N (1-11), Iodo[Tyr10])
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C55H79IN16O12/c1-31(47(59)77)67-52(82)42(27-36-19-21-37(56)22-20-36)71-51(81)39(17-10-11-23-57)70-50(80)40(18-12-24-62-55(60)61)69-48(78)32(2)66-44(75)30-65-54(84)46(33(3)73)72-53(83)41(26-35-15-8-5-9-16-35)68-45(76)29-63-43(74)28-64-49(79)38(58)25-34-13-6-4-7-14-34/h4-9,13-16,19-22,31-33,38-42,46,73H,10-12,17-18,23-30,57-58H2,1-3H3,(H2,59,77)(H,63,74)(H,64,79)(H,65,84)(H,66,75)(H,67,82)(H,68,76)(H,69,78)(H,70,80)(H,71,81)(H,72,83)(H4,60,61,62)/t31-,32-,33+,38-,39-,40-,41-,42-,46-/m0/s1
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38.9n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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70.8n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM86228
PNG
(P517)
Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H77N15O10/c53-24-12-10-21-36(55)46(72)63-37(22-11-13-25-54)47(73)61-30-43(69)60-31-44(70)62-40(28-34-17-6-2-7-18-34)49(75)67-42(32-68)51(77)66-41(29-35-19-8-3-9-20-35)50(76)64-38(23-14-26-59-52(57)58)48(74)65-39(45(56)71)27-33-15-4-1-5-16-33/h1-9,15-20,36-42,68H,10-14,21-32,53-55H2,(H2,56,71)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H4,57,58,59)/t36-,37-,38-,39?,40-,41-,42-/m0/s1
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235n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM86226
PNG
(P52)
Show SMILES NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C40H53N11O8/c41-22-33(53)46-23-34(54)47-30(20-26-13-6-2-7-14-26)37(57)51-32(24-52)39(59)50-31(21-27-15-8-3-9-16-27)38(58)48-28(17-10-18-45-40(43)44)36(56)49-29(35(42)55)19-25-11-4-1-5-12-25/h1-9,11-16,28-32,52H,10,17-24,41H2,(H2,42,55)(H,46,53)(H,47,54)(H,48,58)(H,49,56)(H,50,59)(H,51,57)(H4,43,44,45)/t28-,29?,30-,31-,32-/m0/s1
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245n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM86224
PNG
(P513)
Show SMILES NCCCC[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C46H65N13O9/c47-21-11-10-19-32(48)41(64)54-26-38(61)53-27-39(62)55-35(24-30-15-6-2-7-16-30)43(66)59-37(28-60)45(68)58-36(25-31-17-8-3-9-18-31)44(67)56-33(20-12-22-52-46(50)51)42(65)57-34(40(49)63)23-29-13-4-1-5-14-29/h1-9,13-18,32-37,60H,10-12,19-28,47-48H2,(H2,49,63)(H,53,61)(H,54,64)(H,55,62)(H,56,67)(H,57,65)(H,58,68)(H,59,66)(H4,50,51,52)/t32-,33-,34?,35-,36-,37-/m0/s1
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258n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
PPYR1


(Homo sapiens (Human))
BDBM82295
PNG
(PP31-36, HUMAN)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C36H61N13O8/c1-19(2)17-23(37)30(53)48-28(20(3)50)33(56)46-25(8-5-15-44-36(41)42)34(57)49-16-6-9-27(49)32(55)45-24(7-4-14-43-35(39)40)31(54)47-26(29(38)52)18-21-10-12-22(51)13-11-21/h10-13,19-20,23-28,50-51H,4-9,14-18,37H2,1-3H3,(H2,38,52)(H,45,55)(H,46,56)(H,47,54)(H,48,53)(H4,39,40,43)(H4,41,42,44)/t20-,23+,24+,25+,26+,27+,28+/m1/s1
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346n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26762-5 (1995)


Article DOI: 10.1074/jbc.270.45.26762
BindingDB Entry DOI: 10.7270/Q2K9362H
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM85820
PNG
(OFQ/N (1-7))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C37H54N12O9/c1-21(33(55)48-26(32(39)54)14-9-15-42-37(40)41)46-29(52)20-45-36(58)31(22(2)50)49-35(57)27(17-24-12-7-4-8-13-24)47-30(53)19-43-28(51)18-44-34(56)25(38)16-23-10-5-3-6-11-23/h3-8,10-13,21-22,25-27,31,50H,9,14-20,38H2,1-2H3,(H2,39,54)(H,43,51)(H,44,56)(H,45,58)(H,46,52)(H,47,53)(H,48,55)(H,49,57)(H4,40,41,42)/t21-,22+,25-,26-,27-,31-/m0/s1
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360n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86660
PNG
(OFQ/N UFP-102)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C73H123FN28O17/c1-41(92-57(107)39-91-70(119)59(43(3)104)102-68(117)53(34-44-24-26-46(74)27-25-44)94-58(108)38-90-56(106)37-89-55(105)36-85-35-45-16-5-4-6-17-45)61(110)96-50(21-13-31-86-71(79)80)65(114)99-49(20-9-12-30-77)67(116)101-54(40-103)69(118)93-42(2)62(111)97-51(22-14-32-87-72(81)82)66(115)98-48(19-8-11-29-76)64(113)100-52(23-15-33-88-73(83)84)63(112)95-47(60(78)109)18-7-10-28-75/h4-6,16-17,24-27,41-43,47-54,59,85,103-104H,7-15,18-23,28-40,75-77H2,1-3H3,(H2,78,109)(H,89,105)(H,90,106)(H,91,119)(H,92,107)(H,93,118)(H,94,108)(H,95,112)(H,96,110)(H,97,111)(H,98,115)(H,99,114)(H,100,113)(H,101,116)(H,102,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t41-,42-,43+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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380n/an/an/an/an/an/an/an/a



Section of Pharmacology

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 1114-23 (2005)


Article DOI: 10.1124/jpet.104.077339
BindingDB Entry DOI: 10.7270/Q2222SC4
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM85820
PNG
(OFQ/N (1-7))
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C37H54N12O9/c1-21(33(55)48-26(32(39)54)14-9-15-42-37(40)41)46-29(52)20-45-36(58)31(22(2)50)49-35(57)27(17-24-12-7-4-8-13-24)47-30(53)19-43-28(51)18-44-34(56)25(38)16-23-10-5-3-6-11-23/h3-8,10-13,21-22,25-27,31,50H,9,14-20,38H2,1-2H3,(H2,39,54)(H,43,51)(H,44,56)(H,45,58)(H,46,52)(H,47,53)(H,48,55)(H,49,57)(H4,40,41,42)/t21-,22+,25-,26-,27-,31-/m0/s1
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440n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM85748
PNG
(H-PHE-(R)-GLY-GLY-PHE-THR-GLY-ALA-ARG-LYS-SER-ALA-...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39+,40-,41-,42-,43-,44-,45-,49-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Leicester Royal Infirmary

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 28-33 (2001)


Article DOI: 10.1021/acschembio.5b00755
BindingDB Entry DOI: 10.7270/Q2TH8K8W
More data for this
Ligand-Target Pair
F2RL1


(RAT)
BDBM85516
PNG
(CAS_141923-41-3 | P5-NH2 | SFLLR-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C30H51N9O6/c1-17(2)13-22(27(43)36-21(25(32)41)11-8-12-35-30(33)34)38-28(44)23(14-18(3)4)39-29(45)24(37-26(42)20(31)16-40)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-24,40H,8,11-16,31H2,1-4H3,(H2,32,41)(H,36,43)(H,37,42)(H,38,44)(H,39,45)(H4,33,34,35)/t20-,21-,22-,23-,24-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



The University of Calgary

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 753-60 (1999)


BindingDB Entry DOI: 10.7270/Q2N878BQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86477
PNG
(FE200041 | d-Phe-d-Phe-d-Nle-d-Arg-NH2)
Show SMILES CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C30H44N8O4/c1-2-3-15-24(28(41)36-23(26(32)39)16-10-17-35-30(33)34)37-29(42)25(19-21-13-8-5-9-14-21)38-27(40)22(31)18-20-11-6-4-7-12-20/h4-9,11-14,22-25H,2-3,10,15-19,31H2,1H3,(H2,32,39)(H,36,41)(H,37,42)(H,38,40)(H4,33,34,35)/t22-,23-,24-,25-/m1/s1
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4.57E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 326-33 (2004)


Article DOI: 10.1124/jpet.104.065391
BindingDB Entry DOI: 10.7270/Q2280665
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM85748
PNG
(H-PHE-(R)-GLY-GLY-PHE-THR-GLY-ALA-ARG-LYS-SER-ALA-...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39+,40-,41-,42-,43-,44-,45-,49-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Leicester Royal Infirmary

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 28-33 (2001)


Article DOI: 10.1021/acschembio.5b00755
BindingDB Entry DOI: 10.7270/Q2TH8K8W
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM82295
PNG
(PP31-36, HUMAN)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C36H61N13O8/c1-19(2)17-23(37)30(53)48-28(20(3)50)33(56)46-25(8-5-15-44-36(41)42)34(57)49-16-6-9-27(49)32(55)45-24(7-4-14-43-35(39)40)31(54)47-26(29(38)52)18-21-10-12-22(51)13-11-21/h10-13,19-20,23-28,50-51H,4-9,14-18,37H2,1-3H3,(H2,38,52)(H,45,55)(H,46,56)(H,47,54)(H,48,53)(H4,39,40,43)(H4,41,42,44)/t20-,23+,24+,25+,26+,27+,28+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




J Biol Chem 270: 26762-5 (1995)


Article DOI: 10.1074/jbc.270.45.26762
BindingDB Entry DOI: 10.7270/Q2K9362H
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM85748
PNG
(H-PHE-(R)-GLY-GLY-PHE-THR-GLY-ALA-ARG-LYS-SER-ALA-...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39+,40-,41-,42-,43-,44-,45-,49-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Leicester Royal Infirmary

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 28-33 (2001)


Article DOI: 10.1021/acschembio.5b00755
BindingDB Entry DOI: 10.7270/Q2TH8K8W
More data for this
Ligand-Target Pair
AICAR transformylase


(Homo sapiens (Human))
BDBM92369
PNG
(RY Analogue, 9)
Show SMILES CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C19H30N6O3/c1-3-22-17(27)16(12-14-8-5-4-6-9-14)25-18(28)15(24-13(2)26)10-7-11-23-19(20)21/h4-6,8-9,15-16H,3,7,10-12H2,1-2H3,(H,22,27)(H,24,26)(H,25,28)(H4,20,21,23)/t15-,16-/m0/s1
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3.39E+5 -4.73n/an/an/an/an/an/a25



University of Southampton



Assay Description
Enzyme inhibition using aminoimidazole carboxamide ribonucleotide transformylase/inosine monophosphate cyclohydrolase (ATIC).


Chembiochem 13: 1628-34 (2012)


Article DOI: 10.1002/cbic.201200279
BindingDB Entry DOI: 10.7270/Q2P26WQZ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 7.82n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Adrenomedullin receptor AM1; CALCRL/RAMP2


(Homo sapiens (Human))
BDBM50000747
PNG
(CHEMBL2369454 | [Arg-Leu-Ala-Gly-Leu-Leu-Ser-Arg-S...)
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](C)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/C136H228N42O38/c1-64(2)49-84(157-99(188)59-151-110(192)72(17)154-118(200)85(50-65(3)4)164-116(198)81(41-32-46-148-135(144)145)159-111(193)74(19)156-132(214)107(75(20)182)177-128(210)102(142)67(7)8)119(201)165-86(51-66(5)6)120(202)171-93(63-181)126(208)161-82(42-33-47-149-136(146)147)117(199)170-91(61-179)113(195)152-57-98(187)150-58-101(190)172-104(69(11)12)131(213)174-105(70(13)14)130(212)162-80(40-29-31-45-138)115(197)167-88(54-95(139)184)122(204)168-89(55-96(140)185)121(203)166-87(53-78-37-26-23-27-38-78)123(205)175-106(71(15)16)134(216)178-48-34-43-94(178)127(209)176-108(76(21)183)133(215)169-90(56-97(141)186)124(206)173-103(68(9)10)129(211)153-60-100(189)158-92(62-180)125(207)160-79(39-28-30-44-137)114(196)155-73(18)112(194)163-83(109(143)191)52-77-35-24-22-25-36-77/h22-27,35-38,64-76,79-94,102-108,179-183H,28-34,39-63,137-138,142H2,1-21H3,(H2,139,184)(H2,140,185)(H2,141,186)(H2,143,191)(H,150,187)(H,151,192)(H,152,195)(H,153,211)(H,154,200)(H,155,196)(H,156,214)(H,157,188)(H,158,189)(H,159,193)(H,160,207)(H,161,208)(H,162,212)(H,163,194)(H,164,198)(H,165,201)(H,166,203)(H,167,197)(H,168,204)(H,169,215)(H,170,199)(H,171,202)(H,172,190)(H,173,206)(H,174,213)(H,175,205)(H,176,209)(H,177,210)(H4,144,145,148)(H4,146,147,149)/t72-,73-,74-,75+,76+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity of the compound against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane prep...


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 0.780n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Agonist activity at human NOP receptor by [35S]GTPgammaS binding assay


J Med Chem 51: 4385-7 (2008)


Article DOI: 10.1021/jm800394v
BindingDB Entry DOI: 10.7270/Q2B56KN8
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at NOR in mouse Neuro-2a cells assessed as stimulation of ERK phopshorylation after 30 mins post dose by Alphascreen Surefire assay


J Med Chem 53: 8400-8408 (2010)


Article DOI: 10.1021/jm101139f
BindingDB Entry DOI: 10.7270/Q24Q7V77
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/an/an/a 1.12n/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Efficacy for human ORL1 receptor expressing HEK-293 cells


J Med Chem 44: 4015-8 (2001)


Article DOI: 10.1021/jm010092i
BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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n/an/a 0.353n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


Article DOI: 10.1021/jm010092i
BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Adrenomedullin receptor AM1; CALCRL/RAMP2


(Homo sapiens (Human))
BDBM50000744
PNG
(CHEMBL2369464 | [Val-Thr-Ala-Arg-Leu-Ala-Gly-Leu-L...)
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](N)CCCN=C(N)N)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/C124H207N39O34/c1-60(2)45-77(144-92(172)55-139-101(176)67(15)142-108(183)78(46-61(3)4)150-103(178)72(127)35-28-42-136-123(132)133)109(184)151-79(47-62(5)6)110(185)157-86(59-166)116(191)147-75(38-29-43-137-124(134)135)107(182)156-84(57-164)104(179)140-53-91(171)138-54-94(174)158-96(64(9)10)120(195)160-97(65(11)12)119(194)148-74(37-25-27-41-126)106(181)153-81(50-88(128)168)112(187)154-82(51-89(129)169)111(186)152-80(49-71-33-22-19-23-34-71)113(188)161-98(66(13)14)122(197)163-44-30-39-87(163)117(192)162-99(69(17)167)121(196)155-83(52-90(130)170)114(189)159-95(63(7)8)118(193)141-56-93(173)145-85(58-165)115(190)146-73(36-24-26-40-125)105(180)143-68(16)102(177)149-76(100(131)175)48-70-31-20-18-21-32-70/h18-23,31-34,60-69,72-87,95-99,164-167H,24-30,35-59,125-127H2,1-17H3,(H2,128,168)(H2,129,169)(H2,130,170)(H2,131,175)(H,138,171)(H,139,176)(H,140,179)(H,141,193)(H,142,183)(H,143,180)(H,144,172)(H,145,173)(H,146,190)(H,147,191)(H,148,194)(H,149,177)(H,150,178)(H,151,184)(H,152,186)(H,153,181)(H,154,187)(H,155,196)(H,156,182)(H,157,185)(H,158,174)(H,159,189)(H,160,195)(H,161,188)(H,162,192)(H4,132,133,136)(H4,134,135,137)/t67-,68-,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-,98-,99-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity of the compound against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane prep...


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000744
PNG
(CHEMBL2369464 | [Val-Thr-Ala-Arg-Leu-Ala-Gly-Leu-L...)
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](N)CCCN=C(N)N)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/C124H207N39O34/c1-60(2)45-77(144-92(172)55-139-101(176)67(15)142-108(183)78(46-61(3)4)150-103(178)72(127)35-28-42-136-123(132)133)109(184)151-79(47-62(5)6)110(185)157-86(59-166)116(191)147-75(38-29-43-137-124(134)135)107(182)156-84(57-164)104(179)140-53-91(171)138-54-94(174)158-96(64(9)10)120(195)160-97(65(11)12)119(194)148-74(37-25-27-41-126)106(181)153-81(50-88(128)168)112(187)154-82(51-89(129)169)111(186)152-80(49-71-33-22-19-23-34-71)113(188)161-98(66(13)14)122(197)163-44-30-39-87(163)117(192)162-99(69(17)167)121(196)155-83(52-90(130)170)114(189)159-95(63(7)8)118(193)141-56-93(173)145-85(58-165)115(190)146-73(36-24-26-40-125)105(180)143-68(16)102(177)149-76(100(131)175)48-70-31-20-18-21-32-70/h18-23,31-34,60-69,72-87,95-99,164-167H,24-30,35-59,125-127H2,1-17H3,(H2,128,168)(H2,129,169)(H2,130,170)(H2,131,175)(H,138,171)(H,139,176)(H,140,179)(H,141,193)(H,142,183)(H,143,180)(H,144,172)(H,145,173)(H,146,190)(H,147,191)(H,148,194)(H,149,177)(H,150,178)(H,151,184)(H,152,186)(H,153,181)(H,154,187)(H,155,196)(H,156,182)(H,157,185)(H,158,174)(H,159,189)(H,160,195)(H,161,188)(H,162,192)(H4,132,133,136)(H4,134,135,137)/t67-,68-,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-,98-,99-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig atrium membrane


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000747
PNG
(CHEMBL2369454 | [Arg-Leu-Ala-Gly-Leu-Leu-Ser-Arg-S...)
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](C)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/C136H228N42O38/c1-64(2)49-84(157-99(188)59-151-110(192)72(17)154-118(200)85(50-65(3)4)164-116(198)81(41-32-46-148-135(144)145)159-111(193)74(19)156-132(214)107(75(20)182)177-128(210)102(142)67(7)8)119(201)165-86(51-66(5)6)120(202)171-93(63-181)126(208)161-82(42-33-47-149-136(146)147)117(199)170-91(61-179)113(195)152-57-98(187)150-58-101(190)172-104(69(11)12)131(213)174-105(70(13)14)130(212)162-80(40-29-31-45-138)115(197)167-88(54-95(139)184)122(204)168-89(55-96(140)185)121(203)166-87(53-78-37-26-23-27-38-78)123(205)175-106(71(15)16)134(216)178-48-34-43-94(178)127(209)176-108(76(21)183)133(215)169-90(56-97(141)186)124(206)173-103(68(9)10)129(211)153-60-100(189)158-92(62-180)125(207)160-79(39-28-30-44-137)114(196)155-73(18)112(194)163-83(109(143)191)52-77-35-24-22-25-36-77/h22-27,35-38,64-76,79-94,102-108,179-183H,28-34,39-63,137-138,142H2,1-21H3,(H2,139,184)(H2,140,185)(H2,141,186)(H2,143,191)(H,150,187)(H,151,192)(H,152,195)(H,153,211)(H,154,200)(H,155,196)(H,156,214)(H,157,188)(H,158,189)(H,159,193)(H,160,207)(H,161,208)(H,162,212)(H,163,194)(H,164,198)(H,165,201)(H,166,203)(H,167,197)(H,168,204)(H,169,215)(H,170,199)(H,171,202)(H,172,190)(H,173,206)(H,174,213)(H,175,205)(H,176,209)(H,177,210)(H4,144,145,148)(H4,146,147,149)/t72-,73-,74-,75+,76+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type alpha receptor binding sites in rat brain membrane


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Rattus norvegicus)
BDBM50000744
PNG
(CHEMBL2369464 | [Val-Thr-Ala-Arg-Leu-Ala-Gly-Leu-L...)
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](N)CCCN=C(N)N)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/C124H207N39O34/c1-60(2)45-77(144-92(172)55-139-101(176)67(15)142-108(183)78(46-61(3)4)150-103(178)72(127)35-28-42-136-123(132)133)109(184)151-79(47-62(5)6)110(185)157-86(59-166)116(191)147-75(38-29-43-137-124(134)135)107(182)156-84(57-164)104(179)140-53-91(171)138-54-94(174)158-96(64(9)10)120(195)160-97(65(11)12)119(194)148-74(37-25-27-41-126)106(181)153-81(50-88(128)168)112(187)154-82(51-89(129)169)111(186)152-80(49-71-33-22-19-23-34-71)113(188)161-98(66(13)14)122(197)163-44-30-39-87(163)117(192)162-99(69(17)167)121(196)155-83(52-90(130)170)114(189)159-95(63(7)8)118(193)141-56-93(173)145-85(58-165)115(190)146-73(36-24-26-40-125)105(180)143-68(16)102(177)149-76(100(131)175)48-70-31-20-18-21-32-70/h18-23,31-34,60-69,72-87,95-99,164-167H,24-30,35-59,125-127H2,1-17H3,(H2,128,168)(H2,129,169)(H2,130,170)(H2,131,175)(H,138,171)(H,139,176)(H,140,179)(H,141,193)(H,142,183)(H,143,180)(H,144,172)(H,145,173)(H,146,190)(H,147,191)(H,148,194)(H,149,177)(H,150,178)(H,151,184)(H,152,186)(H,153,181)(H,154,187)(H,155,196)(H,156,182)(H,157,185)(H,158,174)(H,159,189)(H,160,195)(H,161,188)(H,162,192)(H4,132,133,136)(H4,134,135,137)/t67-,68-,69+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-,98-,99-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity against [125I]-hCalcitonin gene-related peptide type alpha receptor binding sites in rat brain membrane


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50000747
PNG
(CHEMBL2369454 | [Arg-Leu-Ala-Gly-Leu-Leu-Ser-Arg-S...)
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](C)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/C136H228N42O38/c1-64(2)49-84(157-99(188)59-151-110(192)72(17)154-118(200)85(50-65(3)4)164-116(198)81(41-32-46-148-135(144)145)159-111(193)74(19)156-132(214)107(75(20)182)177-128(210)102(142)67(7)8)119(201)165-86(51-66(5)6)120(202)171-93(63-181)126(208)161-82(42-33-47-149-136(146)147)117(199)170-91(61-179)113(195)152-57-98(187)150-58-101(190)172-104(69(11)12)131(213)174-105(70(13)14)130(212)162-80(40-29-31-45-138)115(197)167-88(54-95(139)184)122(204)168-89(55-96(140)185)121(203)166-87(53-78-37-26-23-27-38-78)123(205)175-106(71(15)16)134(216)178-48-34-43-94(178)127(209)176-108(76(21)183)133(215)169-90(56-97(141)186)124(206)173-103(68(9)10)129(211)153-60-100(189)158-92(62-180)125(207)160-79(39-28-30-44-137)114(196)155-73(18)112(194)163-83(109(143)191)52-77-35-24-22-25-36-77/h22-27,35-38,64-76,79-94,102-108,179-183H,28-34,39-63,137-138,142H2,1-21H3,(H2,139,184)(H2,140,185)(H2,141,186)(H2,143,191)(H,150,187)(H,151,192)(H,152,195)(H,153,211)(H,154,200)(H,155,196)(H,156,214)(H,157,188)(H,158,189)(H,159,193)(H,160,207)(H,161,208)(H,162,212)(H,163,194)(H,164,198)(H,165,201)(H,166,203)(H,167,197)(H,168,204)(H,169,215)(H,170,199)(H,171,202)(H,172,190)(H,173,206)(H,174,213)(H,175,205)(H,176,209)(H,177,210)(H4,144,145,148)(H4,146,147,149)/t72-,73-,74-,75+,76+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-,108-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Université du Québec

Curated by ChEMBL


Assay Description
Binding affinity of the compound against [125I]-hCalcitonin gene-related peptide type receptor binding sites in guinea pig vas deferens membrane prep...


J Med Chem 35: 2163-8 (1992)


Article DOI: 10.1021/jm00090a003
BindingDB Entry DOI: 10.7270/Q2J67FVW
More data for this
Ligand-Target Pair