Found 16 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226283
(CHEMBL172293)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6])-c1ccccc1 Show InChI InChI=1S/C37H48N8O6S/c1-23(27-12-8-5-9-13-27)41-32(47)22-40-34(49)30(20-25-10-6-4-7-11-25)44-33(48)24(2)42-35(50)29(18-19-52-3)43-36(51)31(45-37(38)39)21-26-14-16-28(46)17-15-26/h4-17,23-24,29-31,46H,18-22H2,1-3H3,(H,40,49)(H,41,47)(H,42,50)(H,43,51)(H,44,48)(H4,38,39,45)/t23?,24-,29+,30-,31-/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid activity in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226282
(CHEMBL170858)Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C36H46N6O6S/c1-23(27-12-8-5-9-13-27)39-32(44)22-38-35(47)31(21-25-10-6-4-7-11-25)42-33(45)24(2)40-36(48)30(18-19-49-3)41-34(46)29(37)20-26-14-16-28(43)17-15-26/h4-17,23-24,29-31,43H,18-22,37H2,1-3H3,(H,38,47)(H,39,44)(H,40,48)(H,41,46)(H,42,45)/t23?,24-,29-,30+,31-/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid activity in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50059841
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226284
(CHEMBL170091)Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:40:41:43.44.48:46,48:43:50:47.49.46,48:47:50:43.42.44,THB:42:41:43.44.48:46,42:43:41.50.49:46| Show InChI InChI=1S/C38H52N6O6S/c1-23(41-37(50)31(12-13-51-2)42-35(48)30(39)17-25-8-10-29(45)11-9-25)34(47)43-32(18-24-6-4-3-5-7-24)36(49)40-22-33(46)44-38-19-26-14-27(20-38)16-28(15-26)21-38/h3-11,23,26-28,30-32,45H,12-22,39H2,1-2H3,(H,40,49)(H,41,50)(H,42,48)(H,43,47)(H,44,46)/t23-,26?,27?,28?,30-,31+,32-,38?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against opioid activity in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226289
(CHEMBL369354)Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:49:44:51:48.50.47,49:48:51:44.43.45,THB:47:46:43:48.50.49,47:48:43:46.51.45| Show InChI InChI=1S/C39H54N6O6S/c1-24(41-37(50)32(13-14-52-3)42-36(49)31(40)18-26-9-11-30(46)12-10-26)35(48)43-33(19-25-7-5-4-6-8-25)38(51)45(2)23-34(47)44-39-20-27-15-28(21-39)17-29(16-27)22-39/h4-12,24,27-29,31-33,46H,13-23,40H2,1-3H3,(H,41,50)(H,42,49)(H,43,48)(H,44,47)/t24-,27?,28?,29?,31-,32+,33-,39?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226286
(CHEMBL296148)Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1 Show InChI InChI=1S/C35H44N6O6S/c1-23(39-35(47)29(17-18-48-2)40-33(45)28(36)19-25-13-15-27(42)16-14-25)32(44)41-30(20-24-9-5-3-6-10-24)34(46)38-22-31(43)37-21-26-11-7-4-8-12-26/h3-16,23,28-30,42H,17-22,36H2,1-2H3,(H,37,43)(H,38,46)(H,39,47)(H,40,45)(H,41,44)/t23-,28-,29+,30-/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226281
(CHEMBL171459)Show SMILES C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C25H33N5O6S/c1-37(36)12-11-20(29-23(33)19(26)13-17-7-9-18(31)10-8-17)25(35)30-21(24(34)28-15-22(27)32)14-16-5-3-2-4-6-16/h2-10,19-21,31H,11-15,26H2,1H3,(H2,27,32)(H,28,34)(H,29,33)(H,30,35)/t19-,20+,21-,37?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226291
(CHEMBL171887)Show SMILES C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O Show InChI InChI=1S/C25H32N4O7S/c1-37(36)12-11-20(28-23(33)19(26)13-17-7-9-18(30)10-8-17)25(35)29-21(24(34)27-15-22(31)32)14-16-5-3-2-4-6-16/h2-10,19-21,30H,11-15,26H2,1H3,(H,27,34)(H,28,33)(H,29,35)(H,31,32)/t19-,20+,21-,37?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226293
(CHEMBL171014)Show SMILES C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1 Show InChI InChI=1S/C32H39N5O6S/c1-44(43)17-16-27(36-30(40)26(33)18-23-12-14-25(38)15-13-23)32(42)37-28(19-22-8-4-2-5-9-22)31(41)35-21-29(39)34-20-24-10-6-3-7-11-24/h2-15,26-28,38H,16-21,33H2,1H3,(H,34,39)(H,35,41)(H,36,40)(H,37,42)/t26-,27+,28-,44?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226285
(CHEMBL171089)Show SMILES C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:46:37:44:41.40.42,36:37:39.40.44:42,36:37:44:41.40.42,THB:46:41:37.45.38:44,38:37:39.40.44:42,38:39:37.45.46:42| Show InChI InChI=1S/C35H47N5O6S/c1-47(46)12-11-29(38-32(43)28(36)16-23-7-9-27(41)10-8-23)34(45)39-30(17-22-5-3-2-4-6-22)33(44)37-21-31(42)40-35-18-24-13-25(19-35)15-26(14-24)20-35/h2-10,24-26,28-30,41H,11-21,36H2,1H3,(H,37,44)(H,38,43)(H,39,45)(H,40,42)/t24?,25?,26?,28-,29+,30-,35?,47?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226288
(CHEMBL434111)Show SMILES CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1 |TLB:9:10:14:8.7.13,13:12:15:8.7.9,13:8:15:12.14.11,THB:9:8:14:10.15.11| Show InChI InChI=1S/C36H49N5O6S/c1-41(22-32(43)40-36-19-25-14-26(20-36)16-27(15-25)21-36)35(46)31(18-23-6-4-3-5-7-23)39-34(45)30(12-13-48(2)47)38-33(44)29(37)17-24-8-10-28(42)11-9-24/h3-11,25-27,29-31,42H,12-22,37H2,1-2H3,(H,38,44)(H,39,45)(H,40,43)/t25?,26?,27?,29-,30+,31-,36?,48?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226287
(CHEMBL170817)Show SMILES [#6][S+]([#8-])[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C33H41N7O6S/c1-47(46)17-16-26(38-32(45)28(40-33(34)35)19-23-12-14-25(41)15-13-23)31(44)39-27(18-22-8-4-2-5-9-22)30(43)37-21-29(42)36-20-24-10-6-3-7-11-24/h2-15,26-28,41H,16-21H2,1H3,(H,36,42)(H,37,43)(H,38,45)(H,39,44)(H4,34,35,40)/t26-,27+,28+,47?/m1/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226280
(CHEMBL355446)Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C28H38N6O6S/c1-17(25(37)34-23(27(39)31-16-24(30)36)15-18-6-4-3-5-7-18)32-28(40)22(12-13-41-2)33-26(38)21(29)14-19-8-10-20(35)11-9-19/h3-11,17,21-23,35H,12-16,29H2,1-2H3,(H2,30,36)(H,31,39)(H,32,40)(H,33,38)(H,34,37)/t17-,21-,22+,23-/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226292
(CHEMBL435267)Show SMILES CC(NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1 Show InChI InChI=1S/C33H41N5O6S/c1-22(25-11-7-4-8-12-25)36-30(40)21-35-32(42)29(20-23-9-5-3-6-10-23)38-33(43)28(17-18-45(2)44)37-31(41)27(34)19-24-13-15-26(39)16-14-24/h3-16,22,27-29,39H,17-21,34H2,1-2H3,(H,35,42)(H,36,40)(H,37,41)(H,38,43)/t22?,27-,28+,29-,45?/m0/s1 | PDB
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50226290
(CHEMBL171028)Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C25H33N5O5S/c1-36-12-11-20(29-23(33)19(26)13-17-7-9-18(31)10-8-17)25(35)30-21(24(34)28-15-22(27)32)14-16-5-3-2-4-6-16/h2-10,19-21,31H,11-15,26H2,1H3,(H2,27,32)(H,28,34)(H,29,33)(H,30,35)/t19-,20+,21-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro opioid inhibitory activity against in guinea pig ileum |
J Med Chem 29: 889-94 (1986)
BindingDB Entry DOI: 10.7270/Q2959KSW |
More data for this
Ligand-Target Pair | |
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