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Compile Data Set for Download or QSAR

Found 333 hits with Last Name = 'lubell' and Initial = 'wd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(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 |r|
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
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0.100n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor like type, human Opioid receptor like 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50056796
PNG
(CHEMBL435716 | DEAMINOOXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor


J Med Chem 43: 1448-55 (2000)


BindingDB Entry DOI: 10.7270/Q22V2FCX
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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8.20n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143267
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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27n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143272
PNG
(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29?,30+,31?,32-/m0/s1
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34n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121316
PNG
(Ac-Arg-D-Cha-BTD-D-Arg-D-pClPhe-NH2 | CHEMBL358403)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31+,32-/m0/s1
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34n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121313
PNG
(Ac-Arg-D-Cha-Qaa-D-Arg-D-pClPhe-NH2 | CHEMBL355931)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32?,33+,34+/m1/s1
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35n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121312
PNG
(Ac-Arg-D-Cha-I2aa-D-Arg-D-pClPhe-NH2 | CHEMBL26660...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31-,32+/m0/s1
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44n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143266
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamin...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-7-21-49-42(47)63)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-6-20-48-41(45)46)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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45n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50121316
PNG
(Ac-Arg-D-Cha-BTD-D-Arg-D-pClPhe-NH2 | CHEMBL358403)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31+,32-/m0/s1
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53n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor mu 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143272
PNG
(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29?,30+,31?,32-/m0/s1
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53n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143270
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-6-20-48-41(45)46)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-7-21-49-42(47)63)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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72n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50121312
PNG
(Ac-Arg-D-Cha-I2aa-D-Arg-D-pClPhe-NH2 | CHEMBL26660...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31-,32+/m0/s1
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75n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor type, human Opioid receptor mu 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143272
PNG
(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29?,30+,31?,32-/m0/s1
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78n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50121316
PNG
(Ac-Arg-D-Cha-BTD-D-Arg-D-pClPhe-NH2 | CHEMBL358403)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31+,32-/m0/s1
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78n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor kappa 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Mu-type opioid receptor (Mu)


(Homo sapiens (Human))
BDBM50143266
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamin...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-7-21-49-42(47)63)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-6-20-48-41(45)46)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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85n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Mu-type opioid receptor (Mu)


(Homo sapiens (Human))
BDBM50143267
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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90n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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102n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor mu 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143267
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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105n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143266
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-ureido-pentanoylamin...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(=O)CCCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-7-21-49-42(47)63)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-6-20-48-41(45)46)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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153n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50087282
PNG
(2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-5-(t...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SS[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C(CCC1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C48H75N11O12S2/c1-10-25(4)38-44(70)54-28(15-18-34(49)61)40(66)55-31(21-35(50)62)42(68)58-45(72-73-48(8,9)22-37(64)53-30(41(67)57-38)20-26-11-13-27(60)14-12-26)46(71)59-32(16-17-33(59)47(5,6)7)43(69)56-29(19-24(2)3)39(65)52-23-36(51)63/h11-14,24-25,28-33,38,45,60H,10,15-23H2,1-9H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,64)(H,54,70)(H,55,66)(H,56,69)(H,57,67)(H,58,68)/t25-,28-,29-,30-,31-,32?,33?,38-,45-/m0/s1
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170n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor


J Med Chem 43: 1448-55 (2000)


BindingDB Entry DOI: 10.7270/Q22V2FCX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50121312
PNG
(Ac-Arg-D-Cha-I2aa-D-Arg-D-pClPhe-NH2 | CHEMBL26660...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31-,32+/m0/s1
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190n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor kappa 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143272
PNG
(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29?,30+,31?,32-/m0/s1
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222n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor delta 1 was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50121316
PNG
(Ac-Arg-D-Cha-BTD-D-Arg-D-pClPhe-NH2 | CHEMBL358403)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29?,30-,31+,32-/m0/s1
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222n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor type, human Opioid receptor delta 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50087278
PNG
(2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-5-(t...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C(CCC1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H73N11O12S2/c1-8-25(4)39-45(69)53-28(13-16-35(48)60)41(65)54-31(21-36(49)61)42(66)56-32(23-72-71-18-17-38(63)52-30(43(67)57-39)20-26-9-11-27(59)12-10-26)46(70)58-33(14-15-34(58)47(5,6)7)44(68)55-29(19-24(2)3)40(64)51-22-37(50)62/h9-12,24-25,28-34,39,59H,8,13-23H2,1-7H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,63)(H,53,69)(H,54,65)(H,55,68)(H,56,66)(H,57,67)/t25-,28-,29-,30-,31-,32-,33?,34?,39-/m0/s1
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240n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor


J Med Chem 43: 1448-55 (2000)


BindingDB Entry DOI: 10.7270/Q22V2FCX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(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 |r|
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
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270n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor type, human Opioid receptor mu 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50121314
PNG
(Ac-Arg-D-Cha-Phe-5-tBuPro-D-Arg-D-pClPhe-NH2 | CHE...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6@@H](-[#6]-[#6]-[#6@@H]-1C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C50H76ClN13O7/c1-30(65)59-35(17-11-25-57-48(53)54)43(67)62-38(28-31-13-7-5-8-14-31)45(69)63-39(29-32-15-9-6-10-16-32)47(71)64-40(23-24-41(64)50(2,3)4)46(70)60-36(18-12-26-58-49(55)56)44(68)61-37(42(52)66)27-33-19-21-34(51)22-20-33/h6,9-10,15-16,19-22,31,35-41H,5,7-8,11-14,17-18,23-29H2,1-4H3,(H2,52,66)(H,59,65)(H,60,70)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)(H4,55,56,58)/t35-,36+,37?,38-,39?,40-,41+/m0/s1
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282n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor kappa 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50121314
PNG
(Ac-Arg-D-Cha-Phe-5-tBuPro-D-Arg-D-pClPhe-NH2 | CHE...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6@@H](-[#6]-[#6]-[#6@@H]-1C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C50H76ClN13O7/c1-30(65)59-35(17-11-25-57-48(53)54)43(67)62-38(28-31-13-7-5-8-14-31)45(69)63-39(29-32-15-9-6-10-16-32)47(71)64-40(23-24-41(64)50(2,3)4)46(70)60-36(18-12-26-58-49(55)56)44(68)61-37(42(52)66)27-33-19-21-34(51)22-20-33/h6,9-10,15-16,19-22,31,35-41H,5,7-8,11-14,17-18,23-29H2,1-4H3,(H2,52,66)(H,59,65)(H,60,70)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)(H4,55,56,58)/t35-,36+,37?,38-,39?,40-,41+/m0/s1
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368n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor mu 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50121313
PNG
(Ac-Arg-D-Cha-Qaa-D-Arg-D-pClPhe-NH2 | CHEMBL355931)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32?,33+,34+/m1/s1
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441n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor kappa 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50121313
PNG
(Ac-Arg-D-Cha-Qaa-D-Arg-D-pClPhe-NH2 | CHEMBL355931)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C42H66ClN13O7/c1-24(57)51-29(11-6-20-49-41(45)46)36(59)55-33(23-25-8-3-2-4-9-25)38(61)53-31-19-18-28-10-5-13-34(56(28)40(31)63)39(62)52-30(12-7-21-50-42(47)48)37(60)54-32(35(44)58)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,58)(H,51,57)(H,52,62)(H,53,61)(H,54,60)(H,55,59)(H4,45,46,49)(H4,47,48,50)/t28-,29+,30-,31?,32?,33+,34+/m1/s1
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496n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor mu 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50087280
PNG
(2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-1-[1...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SS[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H67N11O12S2/c1-7-23(4)35-41(66)50-26(14-15-31(45)57)37(62)51-29(19-32(46)58)39(64)54-42(43(67)55-16-8-9-30(55)40(65)52-27(17-22(2)3)36(61)48-21-33(47)59)68-69-44(5,6)20-34(60)49-28(38(63)53-35)18-24-10-12-25(56)13-11-24/h10-13,22-23,26-30,35,42,56H,7-9,14-21H2,1-6H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,66)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30?,35-,42-/m0/s1
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540n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor


J Med Chem 43: 1448-55 (2000)


BindingDB Entry DOI: 10.7270/Q22V2FCX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143268
PNG
(7-[(S)-2-((R)-Acetylamino)-5-guanidino-pentanoylam...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C33H50ClN11O7/c1-18(46)41-22(6-3-15-39-32(36)37)28(48)43-24-14-13-21-5-2-8-26(45(21)31(24)51)30(50)42-23(7-4-16-40-33(38)52)29(49)44-25(27(35)47)17-19-9-11-20(34)12-10-19/h9-12,21-26H,2-8,13-17H2,1H3,(H2,35,47)(H,41,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,39)(H3,38,40,52)/t21-,22+,23-,24?,25-,26?/m1/s1
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779n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143268
PNG
(7-[(S)-2-((R)-Acetylamino)-5-guanidino-pentanoylam...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C33H50ClN11O7/c1-18(46)41-22(6-3-15-39-32(36)37)28(48)43-24-14-13-21-5-2-8-26(45(21)31(24)51)30(50)42-23(7-4-16-40-33(38)52)29(49)44-25(27(35)47)17-19-9-11-20(34)12-10-19/h9-12,21-26H,2-8,13-17H2,1H3,(H2,35,47)(H,41,46)(H,42,50)(H,43,48)(H,44,49)(H4,36,37,39)(H3,38,40,52)/t21-,22+,23-,24?,25-,26?/m1/s1
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833n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50094634
PNG
(CHEMBL140979 | N-(4-Amino-2-methyl-quinolin-6-yl)-...)
Show SMILES CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show InChI InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)
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1.06E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor kappa 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50121315
PNG
(Ac-Arg-D-Cha-I9aa-D-Arg-D-pClPhe-NH2 | CHEMBL35621...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(10-6-18-47-39(43)44)33(57)52-29(21-23-8-3-2-4-9-23)35(59)53-37-38(61)54-30(12-5-13-31(54)62-37)36(60)50-27(11-7-19-48-40(45)46)34(58)51-28(32(42)56)20-24-14-16-25(41)17-15-24/h14-17,23,26-31,37H,2-13,18-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,58)(H,52,57)(H,53,59)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29-,30-,31-,37?/m0/s1
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1.09E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor kappa 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50087281
PNG
(2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-1-[6...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1[C@@H](CC[C@@H]1C(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H74N12O12S2/c1-8-24(4)38-45(70)53-28(13-16-35(49)61)41(66)55-31(19-36(50)62)42(67)57-32(22-73-72-21-27(48)39(64)54-30(43(68)58-38)18-25-9-11-26(60)12-10-25)46(71)59-33(14-15-34(59)47(5,6)7)44(69)56-29(17-23(2)3)40(65)52-20-37(51)63/h9-12,23-24,27-34,38,60H,8,13-22,48H2,1-7H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,70)(H,54,64)(H,55,66)(H,56,69)(H,57,67)(H,58,68)/t24-,27+,28-,29-,30-,31-,32-,33-,34+,38-/m0/s1
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1.43E+3n/an/an/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Binding affinity of the compound against oxytocin receptor


J Med Chem 43: 1448-55 (2000)


BindingDB Entry DOI: 10.7270/Q22V2FCX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(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 |r|
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
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1.50E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor type, human Opioid receptor kappa 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121314
PNG
(Ac-Arg-D-Cha-Phe-5-tBuPro-D-Arg-D-pClPhe-NH2 | CHE...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6@@H](-[#6]-[#6]-[#6@@H]-1C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C50H76ClN13O7/c1-30(65)59-35(17-11-25-57-48(53)54)43(67)62-38(28-31-13-7-5-8-14-31)45(69)63-39(29-32-15-9-6-10-16-32)47(71)64-40(23-24-41(64)50(2,3)4)46(70)60-36(18-12-26-58-49(55)56)44(68)61-37(42(52)66)27-33-19-21-34(51)22-20-33/h6,9-10,15-16,19-22,31,35-41H,5,7-8,11-14,17-18,23-29H2,1-4H3,(H2,52,66)(H,59,65)(H,60,70)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)(H4,55,56,58)/t35-,36+,37?,38-,39?,40-,41+/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121315
PNG
(Ac-Arg-D-Cha-I9aa-D-Arg-D-pClPhe-NH2 | CHEMBL35621...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(10-6-18-47-39(43)44)33(57)52-29(21-23-8-3-2-4-9-23)35(59)53-37-38(61)54-30(12-5-13-31(54)62-37)36(60)50-27(11-7-19-48-40(45)46)34(58)51-28(32(42)56)20-24-14-16-25(41)17-15-24/h14-17,23,26-31,37H,2-13,18-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,58)(H,52,57)(H,53,59)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29-,30-,31-,37?/m0/s1
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2.13E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding against human Opioid receptor like 1


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50121314
PNG
(Ac-Arg-D-Cha-Phe-5-tBuPro-D-Arg-D-pClPhe-NH2 | CHE...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6@@H](-[#6]-[#6]-[#6@@H]-1C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C50H76ClN13O7/c1-30(65)59-35(17-11-25-57-48(53)54)43(67)62-38(28-31-13-7-5-8-14-31)45(69)63-39(29-32-15-9-6-10-16-32)47(71)64-40(23-24-41(64)50(2,3)4)46(70)60-36(18-12-26-58-49(55)56)44(68)61-37(42(52)66)27-33-19-21-34(51)22-20-33/h6,9-10,15-16,19-22,31,35-41H,5,7-8,11-14,17-18,23-29H2,1-4H3,(H2,52,66)(H,59,65)(H,60,70)(H,61,68)(H,62,67)(H,63,69)(H4,53,54,57)(H4,55,56,58)/t35-,36+,37?,38-,39?,40-,41+/m0/s1
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2.34E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor type, human Opioid receptor delta 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Mu-type opioid receptor (Mu)


(Homo sapiens (Human))
BDBM50143270
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-6-20-48-41(45)46)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-7-21-49-42(47)63)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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2.56E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50121315
PNG
(Ac-Arg-D-Cha-I9aa-D-Arg-D-pClPhe-NH2 | CHEMBL35621...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@H](N2C1=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)NC(Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(10-6-18-47-39(43)44)33(57)52-29(21-23-8-3-2-4-9-23)35(59)53-37-38(61)54-30(12-5-13-31(54)62-37)36(60)50-27(11-7-19-48-40(45)46)34(58)51-28(32(42)56)20-24-14-16-25(41)17-15-24/h14-17,23,26-31,37H,2-13,18-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,58)(H,52,57)(H,53,59)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28?,29-,30-,31-,37?/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding using COS-human Opioid receptor mu 1 membranes


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(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 |r|
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
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Binding affinity for opioid receptor type, human Opioid receptor delta 1 expressed in membrane homogenates of COS-1 or CHO cells


J Med Chem 45: 5353-7 (2002)


BindingDB Entry DOI: 10.7270/Q2VT1ST9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143270
PNG
(7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C42H65ClN12O8/c1-24(56)50-29(11-6-20-48-41(45)46)36(58)54-33(23-25-8-3-2-4-9-25)38(60)52-31-19-18-28-10-5-13-34(55(28)40(31)62)39(61)51-30(12-7-21-49-42(47)63)37(59)53-32(35(44)57)22-26-14-16-27(43)17-15-26/h14-17,25,28-34H,2-13,18-23H2,1H3,(H2,44,57)(H,50,56)(H,51,61)(H,52,60)(H,53,59)(H,54,58)(H4,45,46,48)(H3,47,49,63)/t28-,29+,30-,31?,32-,33-,34?/m1/s1
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4.27E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143271
PNG
(7-[(R)-3-Cyclohexyl-2-((R)-5-guanidino-pentanoylam...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C40H62ClN11O7/c41-26-16-14-25(15-17-26)22-30(34(42)54)51-35(55)28(11-7-21-47-40(45)59)49-37(57)32-12-6-10-27-18-19-29(38(58)52(27)32)50-36(56)31(23-24-8-2-1-3-9-24)48-33(53)13-4-5-20-46-39(43)44/h14-17,24,27-32H,1-13,18-23H2,(H2,42,54)(H,48,53)(H,49,57)(H,50,56)(H,51,55)(H4,43,44,46)(H3,45,47,59)/t27-,28-,29?,30-,31-,32?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143273
PNG
(7-((R)-2-Acetylamino-3-cyclohexyl-propionylamino)-...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=O)C(N)=O
Show InChI InChI=1S/C27H45N7O6/c1-16(35)31-21(15-17-7-3-2-4-8-17)24(37)33-20-13-12-18-9-5-11-22(34(18)26(20)39)25(38)32-19(23(28)36)10-6-14-30-27(29)40/h17-22H,2-15H2,1H3,(H2,28,36)(H,31,35)(H,32,38)(H,33,37)(H3,29,30,40)/t18-,19-,20?,21-,22?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143271
PNG
(7-[(R)-3-Cyclohexyl-2-((R)-5-guanidino-pentanoylam...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C40H62ClN11O7/c41-26-16-14-25(15-17-26)22-30(34(42)54)51-35(55)28(11-7-21-47-40(45)59)49-37(57)32-12-6-10-27-18-19-29(38(58)52(27)32)50-36(56)31(23-24-8-2-1-3-9-24)48-33(53)13-4-5-20-46-39(43)44/h14-17,24,27-32H,1-13,18-23H2,(H2,42,54)(H,48,53)(H,49,57)(H,50,56)(H,51,55)(H4,43,44,46)(H3,45,47,59)/t27-,28-,29?,30-,31-,32?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50143273
PNG
(7-((R)-2-Acetylamino-3-cyclohexyl-propionylamino)-...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=O)C(N)=O
Show InChI InChI=1S/C27H45N7O6/c1-16(35)31-21(15-17-7-3-2-4-8-17)24(37)33-20-13-12-18-9-5-11-22(34(18)26(20)39)25(38)32-19(23(28)36)10-6-14-30-27(29)40/h17-22H,2-15H2,1H3,(H2,28,36)(H,31,35)(H,32,38)(H,33,37)(H3,29,30,40)/t18-,19-,20?,21-,22?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50143273
PNG
(7-((R)-2-Acetylamino-3-cyclohexyl-propionylamino)-...)
Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=O)C(N)=O
Show InChI InChI=1S/C27H45N7O6/c1-16(35)31-21(15-17-7-3-2-4-8-17)24(37)33-20-13-12-18-9-5-11-22(34(18)26(20)39)25(38)32-19(23(28)36)10-6-14-30-27(29)40/h17-22H,2-15H2,1H3,(H2,28,36)(H,31,35)(H,32,38)(H,33,37)(H3,29,30,40)/t18-,19-,20?,21-,22?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Mu-type opioid receptor (Mu)


(Homo sapiens (Human))
BDBM50143269
PNG
(7-[2-((S)-2-Acetylamino-5-(R)-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C33H57N11O7/c1-19(45)40-23(12-7-16-38-32(35)36)28(47)43-25(18-20-8-3-2-4-9-20)29(48)42-24-15-14-21-10-5-13-26(44(21)31(24)50)30(49)41-22(27(34)46)11-6-17-39-33(37)51/h20-26H,2-18H2,1H3,(H2,34,46)(H,40,45)(H,41,49)(H,42,48)(H,43,47)(H4,35,36,38)(H3,37,39,51)/t21-,22-,23+,24?,25-,26?/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
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