BindingDB logo
myBDB logout

PubMed code 1714957

Compile data set for download or QSAR
Found 12 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50007965
PNG
(CHEMBL312194 | Tyr(psi)CH2O-Gly-Gly-Phe-Leu-NH2 | ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)12-23(27(30)37)33-28(38)24(14-19-6-4-3-5-7-19)32-25(35)15-31-26(36)17-39-16-21(29)13-20-8-10-22(34)11-9-20/h3-11,18,21,23-24,34H,12-17,29H2,1-2H3,(H2,30,37)(H,31,36)(H,32,35)(H,33,38)/t21-,23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.69n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50007965
PNG
(CHEMBL312194 | Tyr(psi)CH2O-Gly-Gly-Phe-Leu-NH2 | ...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)COC[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)12-23(27(30)37)33-28(38)24(14-19-6-4-3-5-7-19)32-25(35)15-31-26(36)17-39-16-21(29)13-20-8-10-22(34)11-9-20/h3-11,18,21,23-24,34H,12-17,29H2,1-2H3,(H2,30,37)(H,31,36)(H,32,35)(H,33,38)/t21-,23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.78n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
629n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50007966
PNG
(CHEMBL420022 | Tyr-Gly(psi)CH2O-Gly-PheLeu-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)14-23(26(30)36)33-28(38)24(16-19-6-4-3-5-7-19)32-25(35)17-39-13-12-31-27(37)22(29)15-20-8-10-21(34)11-9-20/h3-11,18,22-24,34H,12-17,29H2,1-2H3,(H2,30,36)(H,31,37)(H,32,35)(H,33,38)/t22-,23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.38E+3n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor mu was determined in rat brain using [3H]-DAGO as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50007966
PNG
(CHEMBL420022 | Tyr-Gly(psi)CH2O-Gly-PheLeu-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COCCNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C28H39N5O6/c1-18(2)14-23(26(30)36)33-28(38)24(16-19-6-4-3-5-7-19)32-25(35)17-39-13-12-31-27(37)22(29)15-20-8-10-21(34)11-9-20/h3-11,18,22-24,34H,12-17,29H2,1-2H3,(H2,30,36)(H,31,37)(H,32,35)(H,33,38)/t22-,23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.20E+3n/an/an/an/an/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Binding affinity of the compound to opioid receptor delta was determined in rat brain using [3H]-DSTBULET as radioligand


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50007972
PNG
(CHEMBL311917 | pGlu6-Phe-Phe8(psi)CH2O-Gly-Leu-Met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007962
PNG
(CHEMBL81919 | pGlu6-Phe-NMePhe-Gly-Leu-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 600n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50007963
PNG
(CHEMBL441061 | pGlu6-Phe-Phe-Gly-Leu-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H49N7O7S/c1-22(2)18-27(35(49)41-25(32(37)46)16-17-51-3)40-31(45)21-38-33(47)28(19-23-10-6-4-7-11-23)42-36(50)29(20-24-12-8-5-9-13-24)43-34(48)26-14-15-30(44)39-26/h4-13,22,25-29H,14-21H2,1-3H3,(H2,37,46)(H,38,47)(H,39,44)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t25-,26-,27-,28-,29-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007963
PNG
(CHEMBL441061 | pGlu6-Phe-Phe-Gly-Leu-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H49N7O7S/c1-22(2)18-27(35(49)41-25(32(37)46)16-17-51-3)40-31(45)21-38-33(47)28(19-23-10-6-4-7-11-23)42-36(50)29(20-24-12-8-5-9-13-24)43-34(48)26-14-15-30(44)39-26/h4-13,22,25-29H,14-21H2,1-3H3,(H2,37,46)(H,38,47)(H,39,44)(H,40,45)(H,41,49)(H,42,50)(H,43,48)/t25-,26-,27-,28-,29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
TACR3


(GUINEA PIG)
BDBM50007962
PNG
(CHEMBL81919 | pGlu6-Phe-NMePhe-Gly-Leu-Met-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C37H51N7O7S/c1-23(2)19-28(35(49)42-26(33(38)47)17-18-52-4)41-32(46)22-39-36(50)30(21-25-13-9-6-10-14-25)44(3)37(51)29(20-24-11-7-5-8-12-24)43-34(48)27-15-16-31(45)40-27/h5-14,23,26-30H,15-22H2,1-4H3,(H2,38,47)(H,39,50)(H,40,45)(H,41,46)(H,42,49)(H,43,48)/t26-,27-,28-,29-,30-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK3 receptors of guinea pig ileum for maximal contraction in the presence of 10e-7 M substance P methy...


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007972
PNG
(CHEMBL311917 | pGlu6-Phe-Phe8(psi)CH2O-Gly-Leu-Met...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Effective dose of the compound was measured on NK1 receptors of guinea pig ileum for maximal contraction in the presence of 3*10e-7 M atropine


J Med Chem 34: 2430-8 (1991)


Article DOI: 10.1021/jm00112a018
BindingDB Entry DOI: 10.7270/Q2P55MFQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%