BindingDB logo
myBDB logout

PubMed code 28318942

Compile data set for download or QSAR
Found 10 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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50237596
PNG
(CHEMBL4099423)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-41-31(21-27-16-18-28(47)19-17-27)37(51)43-29-15-9-10-20-42-34(48)24-30(35(40)49)44-38(52)33(23-26-13-7-4-8-14-26)46(2)39(53)32(45-36(29)50)22-25-11-5-3-6-12-25/h3-8,11-14,16-19,29-33,41,47H,9-10,15,20-24H2,1-2H3,(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t29-,30+,31+,32+,33+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.730n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates after 180 mins by liquid scintillation counting analysis

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50237595
PNG
(CHEMBL4065881)
Show SMILES CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C42H54N8O8/c1-44-33(22-29-17-19-30(51)20-18-29)39(55)47-31-16-10-11-21-45-36(52)25-32(38(43)54)48-41(57)35(24-28-14-8-5-9-15-28)49(2)37(53)26-46-40(56)34(50(3)42(31)58)23-27-12-6-4-7-13-27/h4-9,12-15,17-20,31-35,44,51H,10-11,16,21-26H2,1-3H3,(H2,43,54)(H,45,52)(H,46,56)(H,47,55)(H,48,57)/t31-,32-,33+,34-,35-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 77n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenates after 180 mins by liquid scintillation counting analysis

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50237594
PNG
(CHEMBL4087301)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H57N9O9/c1-46-34(22-30-17-19-31(54)20-18-30)42(60)51-32-16-10-11-21-47-37(55)25-33(40(45)58)50-38(56)26-48-43(61)35(23-28-12-6-4-7-13-28)53(3)44(62)36(24-29-14-8-5-9-15-29)52(2)39(57)27-49-41(32)59/h4-9,12-15,17-20,32-36,46,54H,10-11,16,21-27H2,1-3H3,(H2,45,58)(H,47,55)(H,48,61)(H,49,59)(H,50,56)(H,51,60)/t32-,33+,34+,35+,36+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 106n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50237595
PNG
(CHEMBL4065881)
Show SMILES CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C42H54N8O8/c1-44-33(22-29-17-19-30(51)20-18-29)39(55)47-31-16-10-11-21-45-36(52)25-32(38(43)54)48-41(57)35(24-28-14-8-5-9-15-28)49(2)37(53)26-46-40(56)34(50(3)42(31)58)23-27-12-6-4-7-13-27/h4-9,12-15,17-20,31-35,44,51H,10-11,16,21-26H2,1-3H3,(H2,43,54)(H,45,52)(H,46,56)(H,47,55)(H,48,57)/t31-,32-,33+,34-,35-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 519n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates after 180 mins by liquid scintillation counting analysis

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50237596
PNG
(CHEMBL4099423)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-41-31(21-27-16-18-28(47)19-17-27)37(51)43-29-15-9-10-20-42-34(48)24-30(35(40)49)44-38(52)33(23-26-13-7-4-8-14-26)46(2)39(53)32(45-36(29)50)22-25-11-5-3-6-12-25/h3-8,11-14,16-19,29-33,41,47H,9-10,15,20-24H2,1-2H3,(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t29-,30+,31+,32+,33+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50237594
PNG
(CHEMBL4087301)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H57N9O9/c1-46-34(22-30-17-19-31(54)20-18-30)42(60)51-32-16-10-11-21-47-37(55)25-33(40(45)58)50-38(56)26-48-43(61)35(23-28-12-6-4-7-13-28)53(3)44(62)36(24-29-14-8-5-9-15-29)52(2)39(57)27-49-41(32)59/h4-9,12-15,17-20,32-36,46,54H,10-11,16,21-27H2,1-3H3,(H2,45,58)(H,47,55)(H,48,61)(H,49,59)(H,50,56)(H,51,60)/t32-,33+,34+,35+,36+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]nor-BNI from KOR in Dunkin Hartley guinea pig brain homogenates after 180 mins by liquid scintillation counting analysis

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50237594
PNG
(CHEMBL4087301)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC1=O)C(N)=O |r|
Show InChI InChI=1S/C44H57N9O9/c1-46-34(22-30-17-19-31(54)20-18-30)42(60)51-32-16-10-11-21-47-37(55)25-33(40(45)58)50-38(56)26-48-43(61)35(23-28-12-6-4-7-13-28)53(3)44(62)36(24-29-14-8-5-9-15-29)52(2)39(57)27-49-41(32)59/h4-9,12-15,17-20,32-36,46,54H,10-11,16,21-27H2,1-3H3,(H2,45,58)(H,47,55)(H,48,61)(H,49,59)(H,50,56)(H,51,60)/t32-,33+,34+,35+,36+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain homogenates after 180 mins by liquid scintillation counting analysis

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50237596
PNG
(CHEMBL4099423)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-41-31(21-27-16-18-28(47)19-17-27)37(51)43-29-15-9-10-20-42-34(48)24-30(35(40)49)44-38(52)33(23-26-13-7-4-8-14-26)46(2)39(53)32(45-36(29)50)22-25-11-5-3-6-12-25/h3-8,11-14,16-19,29-33,41,47H,9-10,15,20-24H2,1-2H3,(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t29-,30+,31+,32+,33+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin-2 from DOR in Wistar rat brain homogenates after 180 mins by liquid scintillation counting analysis

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))		BDBM50237595
PNG
(CHEMBL4065881)
Show SMILES CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(N)=O |r|
Show InChI InChI=1S/C42H54N8O8/c1-44-33(22-29-17-19-30(51)20-18-29)39(55)47-31-16-10-11-21-45-36(52)25-32(38(43)54)48-41(57)35(24-28-14-8-5-9-15-28)49(2)37(53)26-46-40(56)34(50(3)42(31)58)23-27-12-6-4-7-13-27/h4-9,12-15,17-20,31-35,44,51H,10-11,16,21-26H2,1-3H3,(H2,43,54)(H,45,52)(H,46,56)(H,47,55)(H,48,57)/t31-,32-,33+,34-,35-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50237596
PNG
(CHEMBL4099423)
Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C39H49N7O7/c1-41-31(21-27-16-18-28(47)19-17-27)37(51)43-29-15-9-10-20-42-34(48)24-30(35(40)49)44-38(52)33(23-26-13-7-4-8-14-26)46(2)39(53)32(45-36(29)50)22-25-11-5-3-6-12-25/h3-8,11-14,16-19,29-33,41,47H,9-10,15,20-24H2,1-2H3,(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t29-,30+,31+,32+,33+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MOR expressed in CHO cells assessed as calcium mobilization by Fluo-4 AM based fluorescence analysis

Bioorg Med Chem Lett 27: 1644-1648 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.016
BindingDB Entry DOI: 10.7270/Q2BG2R9F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%