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PubMed code 1895300

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(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](CCCN=C(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
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3.60n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(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](CCCN=C(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
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16n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(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](CCCN=C(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
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50n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50009674
PNG
(4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-[2-((...)
Show SMILES NCCCC(=O)NCCN(CCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN)C(=O)CCCN
Show InChI InChI=1S/C40H63N11O8/c41-16-4-9-34(53)45-19-21-50(37(56)10-5-17-42)23-24-51(38(57)11-6-18-43)22-20-46-40(59)33(26-29-7-2-1-3-8-29)49-36(55)28-47-35(54)27-48-39(58)32(44)25-30-12-14-31(52)15-13-30/h1-3,7-8,12-15,32-33,52H,4-6,9-11,16-28,41-44H2,(H,45,53)(H,46,59)(H,47,54)(H,48,58)(H,49,55)/t32-,33-/m0/s1
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3.73E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50009677
PNG
(4-Amino-N-[3-(4-amino-butyrylamino)-propyl]-N-{3-[...)
Show SMILES NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C36H55N9O7/c37-16-4-10-31(47)40-18-6-20-45(34(50)11-5-17-38)21-7-19-41-36(52)30(23-26-8-2-1-3-9-26)44-33(49)25-42-32(48)24-43-35(51)29(39)22-27-12-14-28(46)15-13-27/h1-3,8-9,12-15,29-30,46H,4-7,10-11,16-25,37-39H2,(H,40,47)(H,41,52)(H,42,48)(H,43,51)(H,44,49)/t29-,30-/m0/s1
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5.51E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009674
PNG
(4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-[2-((...)
Show SMILES NCCCC(=O)NCCN(CCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN)C(=O)CCCN
Show InChI InChI=1S/C40H63N11O8/c41-16-4-9-34(53)45-19-21-50(37(56)10-5-17-42)23-24-51(38(57)11-6-18-43)22-20-46-40(59)33(26-29-7-2-1-3-8-29)49-36(55)28-47-35(54)27-48-39(58)32(44)25-30-12-14-31(52)15-13-30/h1-3,7-8,12-15,32-33,52H,4-6,9-11,16-28,41-44H2,(H,45,53)(H,46,59)(H,47,54)(H,48,58)(H,49,55)/t32-,33-/m0/s1
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6.76E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009677
PNG
(4-Amino-N-[3-(4-amino-butyrylamino)-propyl]-N-{3-[...)
Show SMILES NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C36H55N9O7/c37-16-4-10-31(47)40-18-6-20-45(34(50)11-5-17-38)21-7-19-41-36(52)30(23-26-8-2-1-3-9-26)44-33(49)25-42-32(48)24-43-35(51)29(39)22-27-12-14-28(46)15-13-27/h1-3,8-9,12-15,29-30,46H,4-7,10-11,16-25,37-39H2,(H,40,47)(H,41,52)(H,42,48)(H,43,51)(H,44,49)/t29-,30-/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50009677
PNG
(4-Amino-N-[3-(4-amino-butyrylamino)-propyl]-N-{3-[...)
Show SMILES NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C36H55N9O7/c37-16-4-10-31(47)40-18-6-20-45(34(50)11-5-17-38)21-7-19-41-36(52)30(23-26-8-2-1-3-9-26)44-33(49)25-42-32(48)24-43-35(51)29(39)22-27-12-14-28(46)15-13-27/h1-3,8-9,12-15,29-30,46H,4-7,10-11,16-25,37-39H2,(H,40,47)(H,41,52)(H,42,48)(H,43,51)(H,44,49)/t29-,30-/m0/s1
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8.43E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50009678
PNG
(4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-{2-[2...)
Show SMILES NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C34H51N9O7/c35-14-4-8-29(45)38-16-18-43(32(48)9-5-15-36)19-17-39-34(50)28(21-24-6-2-1-3-7-24)42-31(47)23-40-30(46)22-41-33(49)27(37)20-25-10-12-26(44)13-11-25/h1-3,6-7,10-13,27-28,44H,4-5,8-9,14-23,35-37H2,(H,38,45)(H,39,50)(H,40,46)(H,41,49)(H,42,47)/t27-,28-/m0/s1
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8.75E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50009674
PNG
(4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-[2-((...)
Show SMILES NCCCC(=O)NCCN(CCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN)C(=O)CCCN
Show InChI InChI=1S/C40H63N11O8/c41-16-4-9-34(53)45-19-21-50(37(56)10-5-17-42)23-24-51(38(57)11-6-18-43)22-20-46-40(59)33(26-29-7-2-1-3-8-29)49-36(55)28-47-35(54)27-48-39(58)32(44)25-30-12-14-31(52)15-13-30/h1-3,7-8,12-15,32-33,52H,4-6,9-11,16-28,41-44H2,(H,45,53)(H,46,59)(H,47,54)(H,48,58)(H,49,55)/t32-,33-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50009676
PNG
(4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H39N7O6/c29-12-4-7-24(37)31-13-14-32-28(41)23(16-19-5-2-1-3-6-19)35-26(39)18-33-25(38)17-34-27(40)22(30)15-20-8-10-21(36)11-9-20/h1-3,5-6,8-11,22-23,36H,4,7,12-18,29-30H2,(H,31,37)(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t22-,23-/m0/s1
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1.01E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009678
PNG
(4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-{2-[2...)
Show SMILES NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C34H51N9O7/c35-14-4-8-29(45)38-16-18-43(32(48)9-5-15-36)19-17-39-34(50)28(21-24-6-2-1-3-7-24)42-31(47)23-40-30(46)22-41-33(49)27(37)20-25-10-12-26(44)13-11-25/h1-3,6-7,10-13,27-28,44H,4-5,8-9,14-23,35-37H2,(H,38,45)(H,39,50)(H,40,46)(H,41,49)(H,42,47)/t27-,28-/m0/s1
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1.44E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009676
PNG
(4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H39N7O6/c29-12-4-7-24(37)31-13-14-32-28(41)23(16-19-5-2-1-3-6-19)35-26(39)18-33-25(38)17-34-27(40)22(30)15-20-8-10-21(36)11-9-20/h1-3,5-6,8-11,22-23,36H,4,7,12-18,29-30H2,(H,31,37)(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t22-,23-/m0/s1
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1.65E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50009678
PNG
(4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-{2-[2...)
Show SMILES NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C34H51N9O7/c35-14-4-8-29(45)38-16-18-43(32(48)9-5-15-36)19-17-39-34(50)28(21-24-6-2-1-3-7-24)42-31(47)23-40-30(46)22-41-33(49)27(37)20-25-10-12-26(44)13-11-25/h1-3,6-7,10-13,27-28,44H,4-5,8-9,14-23,35-37H2,(H,38,45)(H,39,50)(H,40,46)(H,41,49)(H,42,47)/t27-,28-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

Similars

Article
PubMed
2.27E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50009676
PNG
(4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl...)
Show SMILES NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H39N7O6/c29-12-4-7-24(37)31-13-14-32-28(41)23(16-19-5-2-1-3-6-19)35-26(39)18-33-25(38)17-34-27(40)22(30)15-20-8-10-21(36)11-9-20/h1-3,5-6,8-11,22-23,36H,4,7,12-18,29-30H2,(H,31,37)(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t22-,23-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.67E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.


J Med Chem 34: 2816-21 (1991)


Article DOI: 10.1021/jm00113a020
BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%