Compile Data Set for Download or QSAR
Found 4005 Enz. Inhib. hit(s) with Target = 'Nociceptin receptor'
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004178(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
Affinity DataKi:  0.00130nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in HEK293 cells by scintillation counting analysisMore data for this Ligand-Target Pair
TargetNociceptin receptor(MOUSE)
McGill University

Curated by PDSP Ki Database
LigandPNGBDBM85821(OFQ/N,Iodo[Tyr14])
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(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C82H126IN27O22/c1-43(98-64(116)41-97-79(130)66(46(4)112)110-77(128)57(36-48-19-9-6-10-20-48)101-65(117)40-95-63(115)39-96-70(121)51(86)35-47-17-7-5-8-18-47)67(118)102-54(23-15-33-93-81(89)90)71(122)105-53(22-12-14-32-85)74(125)109-60(42-111)78(129)100-44(2)68(119)103-55(24-16-34-94-82(91)92)72(123)104-52(21-11-13-31-84)73(124)108-58(37-49-25-27-50(83)28-26-49)75(126)99-45(3)69(120)107-59(38-62(88)114)76(127)106-56(80(131)132)29-30-61(87)113/h5-10,17-20,25-28,43-46,51-60,66,111-112H,11-16,21-24,29-42,84-86H2,1-4H3,(H2,87,113)(H2,88,114)(H,95,115)(H,96,121)(H,97,130)(H,98,116)(H,99,126)(H,100,129)(H,101,117)(H,102,118)(H,103,119)(H,104,123)(H,105,122)(H,106,127)(H,107,120)(H,108,124)(H,109,125)(H,110,128)(H,131,132)(H4,89,90,93)(H4,91,92,94)/t43-,44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
Affinity DataKi:  0.00600nMMore data for this Ligand-Target Pair
TargetNociceptin receptor(MOUSE)
McGill University

Curated by PDSP Ki Database
LigandPNGBDBM50274460(CHEMBL504540 | FGGFTGARKSARKYANQ | OFQ/N,[Tyr14])
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(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C82H127N27O23/c1-43(97-64(116)41-96-79(130)66(46(4)111)109-77(128)57(36-48-19-9-6-10-20-48)100-65(117)40-94-63(115)39-95-70(121)51(85)35-47-17-7-5-8-18-47)67(118)101-54(23-15-33-92-81(88)89)71(122)104-53(22-12-14-32-84)74(125)108-60(42-110)78(129)99-44(2)68(119)102-55(24-16-34-93-82(90)91)72(123)103-52(21-11-13-31-83)73(124)107-58(37-49-25-27-50(112)28-26-49)75(126)98-45(3)69(120)106-59(38-62(87)114)76(127)105-56(80(131)132)29-30-61(86)113/h5-10,17-20,25-28,43-46,51-60,66,110-112H,11-16,21-24,29-42,83-85H2,1-4H3,(H2,86,113)(H2,87,114)(H,94,115)(H,95,121)(H,96,130)(H,97,116)(H,98,126)(H,99,129)(H,100,117)(H,101,118)(H,102,119)(H,103,123)(H,104,122)(H,105,127)(H,106,120)(H,107,124)(H,108,125)(H,109,128)(H,131,132)(H4,88,89,92)(H4,90,91,93)/t43-,44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
Affinity DataKi:  0.00700nMMore data for this Ligand-Target Pair
TargetNociceptin receptor(MOUSE)
McGill University

Curated by PDSP Ki Database
LigandPNGBDBM21842((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
Affinity DataKi:  0.00700nMMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50121249(CHEMBL415845 | F-G-G-F-T-G-A-R-K-S-A-R-K-L-Aib-N-Q...)
Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-7-49(69(120)106-57(37-60(85)112)75(126)100-50(65(86)116)28-29-59(84)111)99-74(125)55(34-42(2)3)105-72(123)51(24-14-16-30-81)103-71(122)54(27-19-33-92-80(89)90)102-67(118)44(5)97-77(128)58(41-109)107-73(124)52(25-15-17-31-82)104-70(121)53(26-18-32-91-79(87)88)101-66(117)43(4)96-62(114)40-95-78(129)64(45(6)110)108-76(127)56(36-47-22-12-9-13-23-47)98-63(115)39-93-61(113)38-94-68(119)48(83)35-46-20-10-8-11-21-46/h8-13,20-23,42-45,48-58,64,109-110H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,119)(H,95,129)(H,96,114)(H,97,128)(H,98,115)(H,99,125)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,123)(H,106,120)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
Affinity DataKi:  0.0200nMAssay Description:Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM86660(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
Affinity DataKi:  0.0210nMMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM21864((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
Affinity DataKi:  0.0300nMAssay Description:Binding affinity against delta-opioid receptor in guinea pig brain membranesMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50420815(CHEMBL2088054)
Show SMILES NC(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C21H24Cl2N2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)
Affinity DataKi:  0.0373nMAssay Description:Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50173133(CHEMBL3810319)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C51H73N17O9/c1-27-21-33(71)22-28(2)35(27)25-42(68-46(75)40(23-30-14-16-32(70)17-15-30)66-44(73)38(63-29(3)69)12-7-19-60-50(55)56)48(77)65-39(13-8-20-61-51(57)58)45(74)67-41(24-31-26-62-36-10-5-4-9-34(31)36)47(76)64-37(43(52)72)11-6-18-59-49(53)54/h4-5,9-10,14-17,21-22,26,37-42,62,70-71H,6-8,11-13,18-20,23-25H2,1-3H3,(H2,52,72)(H,63,69)(H,64,76)(H,65,77)(H,66,73)(H,67,74)(H,68,75)(H4,53,54,59)(H4,55,56,60)(H4,57,58,61)/t37-,38-,39-,40-,41-,42-/m0/s1
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counti...More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004178(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
Affinity DataKi:  0.0490nMAssay Description:Binding affinity for recombinant human N/OFQ peptide receptor (NOP) expressed in chinese hamster ovary cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50121247(CHEMBL414542 | F-G-G-F-T-G-Aib-R-K-S-A-R-K-L-A-N-Q...)
Show SMILES CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(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](CCCNC(N)=N)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(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-7-49(98-63(115)40-95-78(129)64(45(6)110)108-76(127)56(36-47-22-12-9-13-23-47)99-62(114)39-93-61(113)38-94-68(119)48(83)35-46-20-10-8-11-21-46)69(120)102-54(27-19-33-92-80(89)90)71(122)104-52(25-15-17-31-82)73(124)107-58(41-109)77(128)97-43(4)66(117)101-53(26-18-32-91-79(87)88)70(121)103-51(24-14-16-30-81)72(123)106-55(34-42(2)3)74(125)96-44(5)67(118)105-57(37-60(85)112)75(126)100-50(65(86)116)28-29-59(84)111/h8-13,20-23,42-45,48-58,64,109-110H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,119)(H,95,129)(H,96,125)(H,97,128)(H,98,115)(H,99,114)(H,100,126)(H,101,117)(H,102,120)(H,103,121)(H,104,122)(H,105,118)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
Affinity DataKi:  0.0500nMAssay Description:Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50173132(CHEMBL3808650)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C49H68FN17O8/c1-27(68)62-36(10-5-21-59-48(54)55)42(71)65-39(24-29-14-18-32(69)19-15-29)45(74)66-38(23-28-12-16-31(50)17-13-28)44(73)64-37(11-6-22-60-49(56)57)43(72)67-40(25-30-26-61-34-8-3-2-7-33(30)34)46(75)63-35(41(51)70)9-4-20-58-47(52)53/h2-3,7-8,12-19,26,35-40,61,69H,4-6,9-11,20-25H2,1H3,(H2,51,70)(H,62,68)(H,63,75)(H,64,73)(H,65,71)(H,66,74)(H,67,72)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t35-,36-,37-,38-,39-,40-/m0/s1
Affinity DataKi:  0.0500nMAssay Description:Displacement of [3H]OFQ/nociceptin from human nociceptin receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation counti...More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50121245(CHEMBL266191 | F-G-G-F-T-G-Aib-R-K-S-Aib-R-K-L-A-N...)
Show SMILES CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC)C(=O)N[C@@H](CCCNC(N)=N)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(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C81H134N28O21/c1-7-49(98-64(116)41-96-79(130)65(45(6)111)109-77(128)57(37-47-23-13-10-14-24-47)99-63(115)40-94-62(114)39-95-68(119)48(84)36-46-21-11-9-12-22-46)69(120)102-54(27-19-33-92-80(88)89)71(122)105-53(26-16-18-32-83)74(125)108-59(42-110)78(129)100-50(8-2)70(121)103-55(28-20-34-93-81(90)91)72(123)104-52(25-15-17-31-82)73(124)107-56(35-43(3)4)75(126)97-44(5)67(118)106-58(38-61(86)113)76(127)101-51(66(87)117)29-30-60(85)112/h9-14,21-24,43-45,48-59,65,110-111H,7-8,15-20,25-42,82-84H2,1-6H3,(H2,85,112)(H2,86,113)(H2,87,117)(H,94,114)(H,95,119)(H,96,130)(H,97,126)(H,98,116)(H,99,115)(H,100,129)(H,101,127)(H,102,120)(H,103,121)(H,104,123)(H,105,122)(H,106,118)(H,107,124)(H,108,125)(H,109,128)(H4,88,89,92)(H4,90,91,93)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
Affinity DataKi:  0.0500nMAssay Description:Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM21842((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50121246(CHEMBL438537 | F-G-G-F-T-G-A-R-K-S-A-R-K-L-MeA-N-Q...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-42(2)34-57(78(129)108(7)45(5)68(119)104-56(37-60(85)112)74(125)99-50(65(86)116)28-29-59(84)111)105-72(123)51(24-14-16-30-81)102-71(122)54(27-19-33-92-80(89)90)101-67(118)44(4)97-76(127)58(41-109)106-73(124)52(25-15-17-31-82)103-70(121)53(26-18-32-91-79(87)88)100-66(117)43(3)96-62(114)40-95-77(128)64(46(6)110)107-75(126)55(36-48-22-12-9-13-23-48)98-63(115)39-93-61(113)38-94-69(120)49(83)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64,109-110H,14-19,24-41,81-83H2,1-7H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,128)(H,96,114)(H,97,127)(H,98,115)(H,99,125)(H,100,117)(H,101,118)(H,102,122)(H,103,121)(H,104,119)(H,105,123)(H,106,124)(H,107,126)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004193(CHEMBL3236476)
Show SMILES CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc32)c(C)n1
Show InChI InChI=1S/C25H30F2N4OS.C4H6O6/c1-17-20(16-31(28-17)23-19(14-29(2)3)5-4-6-21(23)26)15-30-10-8-25(9-11-30)24-18(7-12-32-25)13-22(27)33-24;5-1(3(7)8)2(6)4(9)10/h4-6,13,16H,7-12,14-15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
Affinity DataKi:  0.0648nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50420812(CHEMBL2088061)
Show SMILES CN(C1CC1)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C25H30F2N2O2S/c1-28(20-6-7-20)24(30)19(14-17-4-2-3-5-21(17)26)16-29-11-9-25(10-12-29)23-18(8-13-31-25)15-22(27)32-23/h2-5,15,19-20H,6-14,16H2,1H3
Affinity DataKi:  0.0672nMAssay Description:Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM86660(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
Affinity DataKi:  0.0680nMMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004180(CHEMBL3236474)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1c(F)cccc1F
Show InChI InChI=1S/C22H22F3N3OS.C4H6O6/c1-14-16(13-28(26-14)20-17(23)3-2-4-18(20)24)12-27-8-6-22(7-9-27)21-15(5-10-29-22)11-19(25)30-21;5-1(3(7)8)2(6)4(9)10/h2-4,11,13H,5-10,12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
Affinity DataKi:  0.0711nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM86660(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
Affinity DataKi:  0.0760nMMore data for this Ligand-Target Pair
TargetNociceptin receptor(RAT)
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087691(8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-s...)
Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C22H33N3O/c1-17(2)18-8-10-19(11-9-18)24-14-12-22(13-15-24)21(26)23-16-25(22)20-6-4-3-5-7-20/h3-7,17-19H,8-16H2,1-2H3,(H,23,26)/t18-,19+
Affinity DataKi:  0.0790nMAssay Description:Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004178(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
Affinity DataKi:  0.0800nMAssay Description:Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50121253(CHEMBL408356 | F-G-G-F-T-G-A-R-K-S-Aib-R-K-L-A-N-Q...)
Show SMILES CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)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(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-7-49(69(120)102-54(27-19-33-92-80(89)90)71(122)103-51(24-14-16-30-81)72(123)106-55(34-42(2)3)74(125)97-44(5)67(118)105-57(37-60(85)112)75(126)100-50(65(86)116)28-29-59(84)111)99-77(128)58(41-109)107-73(124)52(25-15-17-31-82)104-70(121)53(26-18-32-91-79(87)88)101-66(117)43(4)96-62(114)40-95-78(129)64(45(6)110)108-76(127)56(36-47-22-12-9-13-23-47)98-63(115)39-93-61(113)38-94-68(119)48(83)35-46-20-10-8-11-21-46/h8-13,20-23,42-45,48-58,64,109-110H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,119)(H,95,129)(H,96,114)(H,97,125)(H,98,115)(H,99,128)(H,100,126)(H,101,117)(H,102,120)(H,103,122)(H,104,121)(H,105,118)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
Affinity DataKi:  0.0800nMAssay Description:Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(RAT)
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50087692(8-Cyclodecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCCCCCC1
Show InChI InChI=1S/C23H35N3O/c27-22-23(26(19-24-22)21-13-9-6-10-14-21)15-17-25(18-16-23)20-11-7-4-2-1-3-5-8-12-20/h6,9-10,13-14,20H,1-5,7-8,11-12,15-19H2,(H,24,27)
Affinity DataKi:  0.0820nMAssay Description:Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1More data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50255850(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@@H]1CCCNC1
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m1/s1
Affinity DataKi:  0.0858nMAssay Description:Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50420804(CHEMBL2088055)
Show SMILES CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1F
Show InChI InChI=1S/C23H28ClFN2O2S/c1-26(2)22(28)18(13-16-5-3-4-6-19(16)25)15-27-10-8-23(9-11-27)21-17(7-12-29-23)14-20(24)30-21/h3-6,14,18H,7-13,15H2,1-2H3
Affinity DataKi:  0.0892nMAssay Description:Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50400876(CHEMBL2204347)
Show SMILES CNC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1
Affinity DataKi:  0.0900nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50400866(CHEMBL2204348)
Show SMILES CNC(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m1/s1
Affinity DataKi:  0.0902nMAssay Description:Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004195(CHEMBL3236478)
Show SMILES COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C23H27ClN4O2S.C4H6O6/c1-16-19(14-28(26-16)22-18(15-29-2)4-3-8-25-22)13-27-9-6-23(7-10-27)21-17(5-11-30-23)12-20(24)31-21;5-1(3(7)8)2(6)4(9)10/h3-4,8,12,14H,5-7,9-11,13,15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
Affinity DataKi:  0.0908nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004175(CHEMBL3236486)
Show SMILES Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1-c1ncc[nH]1
Show InChI InChI=1S/C24H23ClF2N6OS/c1-15-16(13-33(31-15)22-17(3-2-6-30-22)21-28-7-8-29-21)12-32-9-4-23(5-10-32)20-18(11-19(25)35-20)24(26,27)14-34-23/h2-3,6-8,11,13H,4-5,9-10,12,14H2,1H3,(H,28,29)
Affinity DataKi:  0.0916nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004196(CHEMBL3236479)
Show SMILES COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc32)c(C)n1
Show InChI InChI=1S/C23H27FN4O2S.C4H6O6/c1-16-19(14-28(26-16)22-18(15-29-2)4-3-8-25-22)13-27-9-6-23(7-10-27)21-17(5-11-30-23)12-20(24)31-21;5-1(3(7)8)2(6)4(9)10/h3-4,8,12,14H,5-7,9-11,13,15H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
Affinity DataKi:  0.0939nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004181(CHEMBL3236475)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCCc1cc(F)sc21)-c1c(F)cccc1C(N)=O
Show InChI InChI=1S/C23H24F2N4O2S.C4H6O6/c1-14-16(13-29(27-14)20-17(22(26)30)3-2-4-18(20)24)12-28-8-6-23(7-9-28)21-15(5-10-31-23)11-19(25)32-21;5-1(3(7)8)2(6)4(9)10/h2-4,11,13H,5-10,12H2,1H3,(H2,26,30);1-2,5-6H,(H,7,8)(H,9,10)
Affinity DataKi:  0.0954nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004174(CHEMBL3236485)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C24H26ClF3N4OS.C4H6O6/c1-15-17(13-32(30-15)21-16(11-29-2)4-3-5-19(21)26)12-31-8-6-23(7-9-31)22-18(10-20(25)34-22)24(27,28)14-33-23;5-1(3(7)8)2(6)4(9)10/h3-5,10,13,29H,6-9,11-12,14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
Affinity DataKi:  0.0970nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50262295(4-[(4R,7S,10S,13R)-10-(3-{[amino(iminiumyl)methyl]...)
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]1CSSC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC[NH+]=C(N)N)NC1=O)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/C61H98N22O14S2/c1-34(51(89)79-41(21-13-25-70-60(66)67)53(91)78-39(50(65)88)19-9-11-23-62)75-57(95)45-33-99-98-32-44(58(96)81-42(22-14-26-71-61(68)69)54(92)80-40(55(93)82-45)20-10-12-24-63)77-48(87)31-74-59(97)49(35(2)84)83-56(94)43(28-37-17-7-4-8-18-37)76-47(86)30-72-46(85)29-73-52(90)38(64)27-36-15-5-3-6-16-36/h3-8,15-18,34-35,38-45,49,84H,9-14,19-33,62-64H2,1-2H3,(H2,65,88)(H,72,85)(H,73,90)(H,74,97)(H,75,95)(H,76,86)(H,77,87)(H,78,91)(H,79,89)(H,80,92)(H,81,96)(H,82,93)(H,83,94)(H4,66,67,70)(H4,68,69,71)/p+2/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Binding affinity to human NOP receptorMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004178(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Binding affinity for opioid receptor like type, human Opioid receptor like 1 expressed in membrane homogenates of COS-1 or CHO cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50255899(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]N/OFQ from human NOP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50121244(CHEMBL264084 | F-G-G-F-T-G-Aib-R-K-S-A-R-K-L-A-N-Q...)
Show SMILES CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(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](CCCNC(N)=N)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(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C80H131N27O22/c1-7-49(97-63(114)40-94-77(127)64(45(6)109)107-75(125)56(36-47-22-12-9-13-23-47)98-62(113)39-92-61(112)38-93-67(117)48(83)35-46-20-10-8-11-21-46)68(118)100-53(27-19-33-91-80(88)89)70(120)102-51(25-15-17-31-82)72(122)106-58(41-108)76(126)96-43(4)65(115)99-52(26-18-32-90-79(86)87)69(119)101-50(24-14-16-30-81)71(121)105-55(34-42(2)3)73(123)95-44(5)66(116)104-57(37-60(85)111)74(124)103-54(78(128)129)28-29-59(84)110/h8-13,20-23,42-45,48-58,64,108-109H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,117)(H,94,127)(H,95,123)(H,96,126)(H,97,114)(H,98,113)(H,99,115)(H,100,118)(H,101,119)(H,102,120)(H,103,124)(H,104,116)(H,105,121)(H,106,122)(H,107,125)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50100983(CHEMBL3326224)
Show SMILES CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50400875(CHEMBL2204353)
Show SMILES NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C21H24ClFN2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
Affinity DataKi:  0.101nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004176(CHEMBL3236487)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1ncccc1CO
Show InChI InChI=1S/C22H23ClF2N4O2S.C4H6O6/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21;5-1(3(7)8)2(6)4(9)10/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
Affinity DataKi:  0.105nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50400874(CHEMBL2086410)
Show SMILES NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C21H24F2N2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
Affinity DataKi:  0.106nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50400874(CHEMBL2086410)
Show SMILES NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C21H24F2N2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
Affinity DataKi:  0.106nMAssay Description:Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50420810(CHEMBL2088060)
Show SMILES CN(C)C(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C23H28F2N2O2S/c1-26(2)22(28)18(13-16-5-3-4-6-19(16)24)15-27-10-8-23(9-11-27)21-17(7-12-29-23)14-20(25)30-21/h3-6,14,18H,7-13,15H2,1-2H3/t18-/m0/s1
Affinity DataKi:  0.114nMAssay Description:Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004173(CHEMBL3236484)
Show SMILES OC(C(O)C(O)=O)C(O)=O.Cc1nn(cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc21)-c1c(F)cccc1CO
Show InChI InChI=1S/C23H23ClF3N3O2S.C4H6O6/c1-14-16(11-30(28-14)20-15(12-31)3-2-4-18(20)25)10-29-7-5-22(6-8-29)21-17(9-19(24)33-21)23(26,27)13-32-22;5-1(3(7)8)2(6)4(9)10/h2-4,9,11,31H,5-8,10,12-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
Affinity DataKi:  0.114nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004178(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]N/OFQ from human nociceptin opioid receptor transfected in CHO cell membranesMore data for this Ligand-Target Pair
TargetNociceptin receptor(MOUSE)
McGill University

Curated by PDSP Ki Database
LigandPNGBDBM85821(OFQ/N,Iodo[Tyr14])
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(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C82H126IN27O22/c1-43(98-64(116)41-97-79(130)66(46(4)112)110-77(128)57(36-48-19-9-6-10-20-48)101-65(117)40-95-63(115)39-96-70(121)51(86)35-47-17-7-5-8-18-47)67(118)102-54(23-15-33-93-81(89)90)71(122)105-53(22-12-14-32-85)74(125)109-60(42-111)78(129)100-44(2)68(119)103-55(24-16-34-94-82(91)92)72(123)104-52(21-11-13-31-84)73(124)108-58(37-49-25-27-50(83)28-26-49)75(126)99-45(3)69(120)107-59(38-62(88)114)76(127)106-56(80(131)132)29-30-61(87)113/h5-10,17-20,25-28,43-46,51-60,66,111-112H,11-16,21-24,29-42,84-86H2,1-4H3,(H2,87,113)(H2,88,114)(H,95,115)(H,96,121)(H,97,130)(H,98,116)(H,99,126)(H,100,129)(H,101,117)(H,102,118)(H,103,119)(H,104,123)(H,105,122)(H,106,127)(H,107,120)(H,108,124)(H,109,125)(H,110,128)(H,131,132)(H4,89,90,93)(H4,91,92,94)/t43-,44-,45-,46+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
Affinity DataKi:  0.120nMMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50004194(CHEMBL3236477)
Show SMILES CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc32)c(C)n1
Show InChI InChI=1S/C25H30ClFN4OS.C4H6O6/c1-17-20(16-31(28-17)23-19(14-29(2)3)5-4-6-21(23)27)15-30-10-8-25(9-11-30)24-18(7-12-32-25)13-22(26)33-24;5-1(3(7)8)2(6)4(9)10/h4-6,13,16H,7-12,14-15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
Affinity DataKi:  0.122nMAssay Description:Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50420816(CHEMBL2088053)
Show SMILES CNC(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C22H26Cl2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)
Affinity DataKi:  0.124nMAssay Description:Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM50420814(CHEMBL2088056)
Show SMILES CNC(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1F
Show InChI InChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)24)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(23)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)
Affinity DataKi:  0.127nMAssay Description:Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
Universit£ de Strasbourg

Curated by ChEMBL
LigandPNGBDBM21842((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
Affinity DataKi:  0.130nM ΔG°:  -55.9kJ/molepH: 7.4 T: 2°CAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
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