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Compile Data Set for Download or QSAR

Found 69 hits from Eastern Michigan University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034247
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C35H50N8O10S/c1-17(2)28(34(52)38-16-26(37)45)43-35(53)29(18(3)4)42-33(51)25(15-27(46)47)41-32(50)24(14-22-7-6-12-54-22)40-30(48)19(5)39-31(49)23(36)13-20-8-10-21(44)11-9-20/h6-12,17-19,23-25,28-29,44H,13-16,36H2,1-5H3,(H2,37,45)(H,38,52)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,43,53)(H,46,47)/t19-,23-,24-,25-,28-,29-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034241
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-7-6-8-23(38)13-22)43-32(51)20(5)42-33(52)25(39)14-21-9-11-24(47)12-10-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034241
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-7-6-8-23(38)13-22)43-32(51)20(5)42-33(52)25(39)14-21-9-11-24(47)12-10-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034242
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C34H49N9O10S/c1-16(2)27(33(52)37-13-25(36)45)43-34(53)28(17(3)4)42-32(51)24(12-26(46)47)41-31(50)23(11-20-14-54-15-38-20)40-29(48)18(5)39-30(49)22(35)10-19-6-8-21(44)9-7-19/h6-9,14-18,22-24,27-28,44H,10-13,35H2,1-5H3,(H2,36,45)(H,37,52)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,43,53)(H,46,47)/t18-,22-,23-,24-,27-,28-/m0/s1
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40n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034250
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H51N9O10/c1-18(2)29(35(54)40-17-27(38)47)45-36(55)30(19(3)4)44-34(53)26(15-28(48)49)43-33(52)25(14-22-7-6-12-39-16-22)42-31(50)20(5)41-32(51)24(37)13-21-8-10-23(46)11-9-21/h6-12,16,18-20,24-26,29-30,46H,13-15,17,37H2,1-5H3,(H2,38,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t20-,24-,25-,26-,29-,30-/m0/s1
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50n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034248
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H51N9O10/c1-18(2)29(35(54)40-17-27(38)47)45-36(55)30(19(3)4)44-34(53)26(16-28(48)49)43-33(52)25(15-22-8-6-7-13-39-22)42-31(50)20(5)41-32(51)24(37)14-21-9-11-23(46)12-10-21/h6-13,18-20,24-26,29-30,46H,14-17,37H2,1-5H3,(H2,38,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t20-,24-,25-,26-,29-,30-/m0/s1
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62n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034244
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H47F5N8O10/c1-14(2)30(36(59)45-13-23(44)52)50-37(60)31(15(3)4)49-35(58)22(12-24(53)54)48-34(57)21(11-19-25(38)27(40)29(42)28(41)26(19)39)47-32(55)16(5)46-33(56)20(43)10-17-6-8-18(51)9-7-17/h6-9,14-16,20-22,30-31,51H,10-13,43H2,1-5H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t16-,20-,21-,22-,30-,31-/m0/s1
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135n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034245
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C34H50N10O10/c1-16(2)27(33(53)38-14-25(36)46)44-34(54)28(17(3)4)43-32(52)24(12-26(47)48)42-31(51)23(11-20-13-37-15-39-20)41-29(49)18(5)40-30(50)22(35)10-19-6-8-21(45)9-7-19/h6-9,13,15-18,22-24,27-28,45H,10-12,14,35H2,1-5H3,(H2,36,46)(H,37,39)(H,38,53)(H,40,50)(H,41,49)(H,42,51)(H,43,52)(H,44,54)(H,47,48)/t18-,22-,23-,24-,27-,28-/m0/s1
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317n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034241
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-7-6-8-23(38)13-22)43-32(51)20(5)42-33(52)25(39)14-21-9-11-24(47)12-10-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
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411n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034241
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-7-6-8-23(38)13-22)43-32(51)20(5)42-33(52)25(39)14-21-9-11-24(47)12-10-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
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411n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034247
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C35H50N8O10S/c1-17(2)28(34(52)38-16-26(37)45)43-35(53)29(18(3)4)42-33(51)25(15-27(46)47)41-32(50)24(14-22-7-6-12-54-22)40-30(48)19(5)39-31(49)23(36)13-20-8-10-21(44)11-9-20/h6-12,17-19,23-25,28-29,44H,13-16,36H2,1-5H3,(H2,37,45)(H,38,52)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,43,53)(H,46,47)/t19-,23-,24-,25-,28-,29-/m0/s1
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419n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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677n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034246
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
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703n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034243
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H62N8O10/c1-19(2)35(41(59)45-18-33(44)52)50-42(60)36(20(3)4)49-40(58)32(17-34(53)54)48-39(57)31(16-29-24(8)22(6)21(5)23(7)25(29)9)47-37(55)26(10)46-38(56)30(43)15-27-11-13-28(51)14-12-27/h11-14,19-20,26,30-32,35-36,51H,15-18,43H2,1-10H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t26-,30-,31-,32-,35-,36-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034243
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H62N8O10/c1-19(2)35(41(59)45-18-33(44)52)50-42(60)36(20(3)4)49-40(58)32(17-34(53)54)48-39(57)31(16-29-24(8)22(6)21(5)23(7)25(29)9)47-37(55)26(10)46-38(56)30(43)15-27-11-13-28(51)14-12-27/h11-14,19-20,26,30-32,35-36,51H,15-18,43H2,1-10H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t26-,30-,31-,32-,35-,36-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50034249
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-19(2)31(37(55)41-18-29(40)48)46-38(56)32(20(3)4)45-36(54)28(17-30(49)50)44-35(53)27(16-24-9-7-21(5)8-10-24)43-33(51)22(6)42-34(52)26(39)15-23-11-13-25(47)14-12-23/h7-14,19-20,22,26-28,31-32,47H,15-18,39H2,1-6H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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2.65E+3n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DPDPE binding to delta opioid receptor of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034242
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C34H49N9O10S/c1-16(2)27(33(52)37-13-25(36)45)43-34(53)28(17(3)4)42-32(51)24(12-26(46)47)41-31(50)23(11-20-14-54-15-38-20)40-29(48)18(5)39-30(49)22(35)10-19-6-8-21(44)9-7-19/h6-9,14-18,22-24,27-28,44H,10-13,35H2,1-5H3,(H2,36,45)(H,37,52)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,43,53)(H,46,47)/t18-,22-,23-,24-,27-,28-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034248
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H51N9O10/c1-18(2)29(35(54)40-17-27(38)47)45-36(55)30(19(3)4)44-34(53)26(16-28(48)49)43-33(52)25(15-22-8-6-7-13-39-22)42-31(50)20(5)41-32(51)24(37)14-21-9-11-23(46)12-10-21/h6-13,18-20,24-26,29-30,46H,14-17,37H2,1-5H3,(H2,38,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t20-,24-,25-,26-,29-,30-/m0/s1
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2.93E+3n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034250
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H51N9O10/c1-18(2)29(35(54)40-17-27(38)47)45-36(55)30(19(3)4)44-34(53)26(15-28(48)49)43-33(52)25(14-22-7-6-12-39-16-22)42-31(50)20(5)41-32(51)24(37)13-21-8-10-23(46)11-9-21/h6-12,16,18-20,24-26,29-30,46H,13-15,17,37H2,1-5H3,(H2,38,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t20-,24-,25-,26-,29-,30-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034244
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H47F5N8O10/c1-14(2)30(36(59)45-13-23(44)52)50-37(60)31(15(3)4)49-35(58)22(12-24(53)54)48-34(57)21(11-19-25(38)27(40)29(42)28(41)26(19)39)47-32(55)16(5)46-33(56)20(43)10-17-6-8-18(51)9-7-17/h6-9,14-16,20-22,30-31,51H,10-13,43H2,1-5H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t16-,20-,21-,22-,30-,31-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034246
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034250
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H51N9O10/c1-18(2)29(35(54)40-17-27(38)47)45-36(55)30(19(3)4)44-34(53)26(15-28(48)49)43-33(52)25(14-22-7-6-12-39-16-22)42-31(50)20(5)41-32(51)24(37)13-21-8-10-23(46)11-9-21/h6-12,16,18-20,24-26,29-30,46H,13-15,17,37H2,1-5H3,(H2,38,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t20-,24-,25-,26-,29-,30-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034245
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C34H50N10O10/c1-16(2)27(33(53)38-14-25(36)46)44-34(54)28(17(3)4)43-32(52)24(12-26(47)48)42-31(51)23(11-20-13-37-15-39-20)41-29(49)18(5)40-30(50)22(35)10-19-6-8-21(45)9-7-19/h6-9,13,15-18,22-24,27-28,45H,10-12,14,35H2,1-5H3,(H2,36,46)(H,37,39)(H,38,53)(H,40,50)(H,41,49)(H,42,51)(H,43,52)(H,44,54)(H,47,48)/t18-,22-,23-,24-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034245
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C34H50N10O10/c1-16(2)27(33(53)38-14-25(36)46)44-34(54)28(17(3)4)43-32(52)24(12-26(47)48)42-31(51)23(11-20-13-37-15-39-20)41-29(49)18(5)40-30(50)22(35)10-19-6-8-21(45)9-7-19/h6-9,13,15-18,22-24,27-28,45H,10-12,14,35H2,1-5H3,(H2,36,46)(H,37,39)(H,38,53)(H,40,50)(H,41,49)(H,42,51)(H,43,52)(H,44,54)(H,47,48)/t18-,22-,23-,24-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034241
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-7-6-8-23(38)13-22)43-32(51)20(5)42-33(52)25(39)14-21-9-11-24(47)12-10-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034243
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H62N8O10/c1-19(2)35(41(59)45-18-33(44)52)50-42(60)36(20(3)4)49-40(58)32(17-34(53)54)48-39(57)31(16-29-24(8)22(6)21(5)23(7)25(29)9)47-37(55)26(10)46-38(56)30(43)15-27-11-13-28(51)14-12-27/h11-14,19-20,26,30-32,35-36,51H,15-18,43H2,1-10H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t26-,30-,31-,32-,35-,36-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034243
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H62N8O10/c1-19(2)35(41(59)45-18-33(44)52)50-42(60)36(20(3)4)49-40(58)32(17-34(53)54)48-39(57)31(16-29-24(8)22(6)21(5)23(7)25(29)9)47-37(55)26(10)46-38(56)30(43)15-27-11-13-28(51)14-12-27/h11-14,19-20,26,30-32,35-36,51H,15-18,43H2,1-10H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t26-,30-,31-,32-,35-,36-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034242
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C34H49N9O10S/c1-16(2)27(33(52)37-13-25(36)45)43-34(53)28(17(3)4)42-32(51)24(12-26(46)47)41-31(50)23(11-20-14-54-15-38-20)40-29(48)18(5)39-30(49)22(35)10-19-6-8-21(44)9-7-19/h6-9,14-18,22-24,27-28,44H,10-13,35H2,1-5H3,(H2,36,45)(H,37,52)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,43,53)(H,46,47)/t18-,22-,23-,24-,27-,28-/m0/s1
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Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034248
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H51N9O10/c1-18(2)29(35(54)40-17-27(38)47)45-36(55)30(19(3)4)44-34(53)26(16-28(48)49)43-33(52)25(15-22-8-6-7-13-39-22)42-31(50)20(5)41-32(51)24(37)14-21-9-11-23(46)12-10-21/h6-13,18-20,24-26,29-30,46H,14-17,37H2,1-5H3,(H2,38,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t20-,24-,25-,26-,29-,30-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034244
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H47F5N8O10/c1-14(2)30(36(59)45-13-23(44)52)50-37(60)31(15(3)4)49-35(58)22(12-24(53)54)48-34(57)21(11-19-25(38)27(40)29(42)28(41)26(19)39)47-32(55)16(5)46-33(56)20(43)10-17-6-8-18(51)9-7-17/h6-9,14-16,20-22,30-31,51H,10-13,43H2,1-5H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t16-,20-,21-,22-,30-,31-/m0/s1
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Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034247
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C35H50N8O10S/c1-17(2)28(34(52)38-16-26(37)45)43-35(53)29(18(3)4)42-33(51)25(15-27(46)47)41-32(50)24(14-22-7-6-12-54-22)40-30(48)19(5)39-31(49)23(36)13-20-8-10-21(44)11-9-20/h6-12,17-19,23-25,28-29,44H,13-16,36H2,1-5H3,(H2,37,45)(H,38,52)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,43,53)(H,46,47)/t19-,23-,24-,25-,28-,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034249
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-19(2)31(37(55)41-18-29(40)48)46-38(56)32(20(3)4)45-36(54)28(17-30(49)50)44-35(53)27(16-24-9-7-21(5)8-10-24)43-33(51)22(6)42-34(52)26(39)15-23-11-13-25(47)14-12-23/h7-14,19-20,22,26-28,31-32,47H,15-18,39H2,1-6H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034246
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-6-10-23(38)11-7-22)43-32(51)20(5)42-33(52)25(39)14-21-8-12-24(47)13-9-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034249
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H54N8O10/c1-19(2)31(37(55)41-18-29(40)48)46-38(56)32(20(3)4)45-36(54)28(17-30(49)50)44-35(53)27(16-24-9-7-21(5)8-10-24)43-33(51)22(6)42-34(52)26(39)15-23-11-13-25(47)14-12-23/h7-14,19-20,22,26-28,31-32,47H,15-18,39H2,1-6H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50034243
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H62N8O10/c1-19(2)35(41(59)45-18-33(44)52)50-42(60)36(20(3)4)49-40(58)32(17-34(53)54)48-39(57)31(16-29-24(8)22(6)21(5)23(7)25(29)9)47-37(55)26(10)46-38(56)30(43)15-27-11-13-28(51)14-12-27/h11-14,19-20,26,30-32,35-36,51H,15-18,43H2,1-10H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t26-,30-,31-,32-,35-,36-/m0/s1
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Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034241
PNG
((S)-3-[(S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H51FN8O10/c1-18(2)30(36(55)41-17-28(40)48)46-37(56)31(19(3)4)45-35(54)27(16-29(49)50)44-34(53)26(15-22-7-6-8-23(38)13-22)43-32(51)20(5)42-33(52)25(39)14-21-9-11-24(47)12-10-21/h6-13,18-20,25-27,30-31,47H,14-17,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,51)(H,44,53)(H,45,54)(H,46,56)(H,49,50)/t20-,25-,26-,27-,30-,31-/m0/s1
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Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50034243
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c(C)c(C)c(C)c(C)c1C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H62N8O10/c1-19(2)35(41(59)45-18-33(44)52)50-42(60)36(20(3)4)49-40(58)32(17-34(53)54)48-39(57)31(16-29-24(8)22(6)21(5)23(7)25(29)9)47-37(55)26(10)46-38(56)30(43)15-27-11-13-28(51)14-12-27/h11-14,19-20,26,30-32,35-36,51H,15-18,43H2,1-10H3,(H2,44,52)(H,45,59)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,60)(H,53,54)/t26-,30-,31-,32-,35-,36-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- U 69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 38: 1242-6 (1995)


Article DOI: 10.1021/jm00007a020
BindingDB Entry DOI: 10.7270/Q21835J2
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310309
PNG
(CHEMBL596879 | N-(3,4-dihydroxyphenylsulfonyl)-N-h...)
Show SMILES CCCCCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO8S2/c1-2-3-4-5-10-19(28(24,25)13-6-8-15(20)17(22)11-13)29(26,27)14-7-9-16(21)18(23)12-14/h6-9,11-12,20-23H,2-5,10H2,1H3
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n/an/a 284n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310311
PNG
(CHEMBL601265 | N-cyclohexyl-N-(3,4-dihydroxyphenyl...)
Show SMILES Oc1ccc(cc1O)S(=O)(=O)N(C1CCCCC1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H21NO8S2/c20-15-8-6-13(10-17(15)22)28(24,25)19(12-4-2-1-3-5-12)29(26,27)14-7-9-16(21)18(23)11-14/h6-12,20-23H,1-5H2
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n/an/a 594n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310308
PNG
(CHEMBL597478 | N-(3,4-dihydroxyphenylsulfonyl)-3,4...)
Show SMILES CCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H17NO8S2/c1-2-7-16(25(21,22)10-3-5-12(17)14(19)8-10)26(23,24)11-4-6-13(18)15(20)9-11/h3-6,8-9,17-20H,2,7H2,1H3
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n/an/a 2.67E+3n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310310
PNG
(CHEMBL596880 | N-benzyl-N-(3,4-dihydroxyphenylsulf...)
Show SMILES Oc1ccc(cc1O)S(=O)(=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H17NO8S2/c21-16-8-6-14(10-18(16)23)29(25,26)20(12-13-4-2-1-3-5-13)30(27,28)15-7-9-17(22)19(24)11-15/h1-11,21-24H,12H2
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n/an/a 4.82E+3n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310301
PNG
(CHEMBL599742 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-3...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H24N2O8S2/c1-3-19(29(25,26)13-5-7-15(21)17(23)11-13)9-10-20(4-2)30(27,28)14-6-8-16(22)18(24)12-14/h5-8,11-12,21-24H,3-4,9-10H2,1-2H3
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n/an/a 9.32E+3n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310307
PNG
(CHEMBL596861 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-3...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1cc(F)c(O)c(F)c1)S(=O)(=O)c1cc(F)c(O)c(F)c1
Show InChI InChI=1S/C18H20F4N2O6S2/c1-3-23(31(27,28)11-7-13(19)17(25)14(20)8-11)5-6-24(4-2)32(29,30)12-9-15(21)18(26)16(22)10-12/h7-10,25-26H,3-6H2,1-2H3
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n/an/a 1.28E+5n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310306
PNG
(CHEMBL611972 | N,N'-(ethane-1,2-diyl)bis(N-ethylbe...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H24N2O4S2/c1-3-19(25(21,22)17-11-7-5-8-12-17)15-16-20(4-2)26(23,24)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310305
PNG
(CHEMBL596859 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-4...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1ccc(O)cc1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-15(21)6-10-17)13-14-20(4-2)28(25,26)18-11-7-16(22)8-12-18/h5-12,21-22H,3-4,13-14H2,1-2H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens)
BDBM50310309
PNG
(CHEMBL596879 | N-(3,4-dihydroxyphenylsulfonyl)-N-h...)
Show SMILES CCCCCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H23NO8S2/c1-2-3-4-5-10-19(28(24,25)13-6-8-15(20)17(22)11-13)29(26,27)14-7-9-16(21)18(23)12-14/h6-9,11-12,20-23H,2-5,10H2,1H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of antithrombin-3 assessed as residual alpha-thrombin activity


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310299
PNG
(CHEMBL599342 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-3...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H32N2O8S2/c1-7-23(33(25,26)17-9-11-19(29-3)21(15-17)31-5)13-14-24(8-2)34(27,28)18-10-12-20(30-4)22(16-18)32-6/h9-12,15-16H,7-8,13-14H2,1-6H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310313
PNG
(CHEMBL596860 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-2...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1cc(O)ccc1O)S(=O)(=O)c1cc(O)ccc1O
Show InChI InChI=1S/C18H24N2O8S2/c1-3-19(29(25,26)17-11-13(21)5-7-15(17)23)9-10-20(4-2)30(27,28)18-12-14(22)6-8-16(18)24/h5-8,11-12,21-24H,3-4,9-10H2,1-2H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Eastern Michigan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins


Bioorg Med Chem Lett 20: 966-70 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.051
BindingDB Entry DOI: 10.7270/Q24M94P3
More data for this
Ligand-Target Pair
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