BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 231 hits Enz. Inhib. hit(s) with all data for entry = 7766   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
κ opioid receptor (KOR D138N)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 0.590 -52.7n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR K227A)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 2.20 -49.4n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR K227A)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 2.5 -49.1n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR L212A)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 3.30 -48.4n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR D138A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 3.5 -48.3n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR I294A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 3.90 -48.0n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR D138N)


(Homo sapiens (Human))		BDBM214799
PNG
(1xx)
Show SMILES FC(F)(F)c1cc(NC(=O)[C@H]2CC=C[C@H]3CCN(Cc4ccccc4)C(=O)[C@@H]23)ccc1Cl
Show InChI InChI=1S/C24H22ClF3N2O2/c25-20-10-9-17(13-19(20)24(26,27)28)29-22(31)18-8-4-7-16-11-12-30(23(32)21(16)18)14-15-5-2-1-3-6-15/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,29,31)/t16-,18-,21+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
 4 -47.9n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR K227A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 4.40 -47.7n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR K200A)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 4.80 -47.5n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR L212A)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 5.40 -47.2n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR I135A)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 6.20 -46.8n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y320A)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 6.60 -46.7n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR M226A)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 7.10 -46.5n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR E297A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 7.20 -46.5n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR M226A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 7.20 -46.5n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR H291F)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 7.60 -46.3n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR H291F)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 7.80 -46.3n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 8 -46.2n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR I135A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 8.30 -46.1n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR L212A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 8.30 -46.1n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR K200A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 9.30 -45.8n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y313F)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 10 -45.7n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR M226A)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 10 -45.7n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 10 -45.7n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR K200A)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 11 -45.4n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y312A)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 11 -45.4n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR E297A)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 11 -45.4n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR M142A)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 16 -44.5n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR H291F)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 17 -44.3n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y320F)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 18 -44.2n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y139F)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 19 -44.1n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR I135A)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 19 -44.1n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y312F)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 19 -44.1n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y312F)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 19 -44.1n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR H291A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 19 -44.1n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR M142A)


(Homo sapiens (Human))		BDBM214799
PNG
(1xx)
Show SMILES FC(F)(F)c1cc(NC(=O)[C@H]2CC=C[C@H]3CCN(Cc4ccccc4)C(=O)[C@@H]23)ccc1Cl
Show InChI InChI=1S/C24H22ClF3N2O2/c25-20-10-9-17(13-19(20)24(26,27)28)29-22(31)18-8-4-7-16-11-12-30(23(32)21(16)18)14-15-5-2-1-3-6-15/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,29,31)/t16-,18-,21+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
 20 -43.9n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y119F)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 20 -43.9n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y312A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 20 -43.9n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y139A)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 21 -43.8n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR M142A)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 22 -43.7n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 22 -43.7n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y119F)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 25 -43.4n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y139A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 26 -43.3n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y66A)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 27 -43.2n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y139F)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 27 -43.2n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y139F)


(Homo sapiens (Human))		BDBM214798
PNG
(Dynorphin A (1-17) | YGGFLRRIRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
PDB

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
 29 -43.0n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR D138A)


(Homo sapiens (Human))		BDBM214799
PNG
(1xx)
Show SMILES FC(F)(F)c1cc(NC(=O)[C@H]2CC=C[C@H]3CCN(Cc4ccccc4)C(=O)[C@@H]23)ccc1Cl
Show InChI InChI=1S/C24H22ClF3N2O2/c25-20-10-9-17(13-19(20)24(26,27)28)29-22(31)18-8-4-7-16-11-12-30(23(32)21(16)18)14-15-5-2-1-3-6-15/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,29,31)/t16-,18-,21+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
 30 -42.9n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR I294A)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 30 -42.9n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y313F)


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 31 -42.9n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
κ opioid receptor (KOR Y119F)


(Homo sapiens (Human))		BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PDB

GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 33 -42.7n/an/an/an/an/a7.425



University of North Carolina



Assay Description
Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...

J Biol Chem 288: 34470-83 (2013)


Article DOI: 10.1074/jbc.M113.515668
BindingDB Entry DOI: 10.7270/Q2P849RP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 231 total )  |  Next  |  Last  >>
Jump to: