BindingDB logo
myBDB logout

PubMed code 26134550

Compile data set for download or QSAR
Found 9 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


(Danio rerio)
BDBM50000092
PNG
((-)-(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/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
187n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.025
BindingDB Entry DOI: 10.7270/Q2JW8GPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Danio rerio)
BDBM50116156
PNG
(CHEMBL3612241)
Show SMILES Cl.[H][C@]12CCC[C@]([H])([C@@H]1C(=O)OC)N(CCc1ccccc1)CC2 |r,TLB:14:13:8:3.5.4|
Show InChI InChI=1S/C18H25NO2.ClH/c1-21-18(20)17-15-8-5-9-16(17)19(13-11-15)12-10-14-6-3-2-4-7-14;/h2-4,6-7,15-17H,5,8-13H2,1H3;1H/t15-,16-,17-;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.24E+3n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.025
BindingDB Entry DOI: 10.7270/Q2JW8GPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Danio rerio)
BDBM50116158
PNG
(CHEMBL3612242)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)Oc1cccc(O)c1 |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1S/C15H19NO3.ClH/c17-11-4-2-5-12(9-11)19-15(18)14-10-3-1-6-13(14)16-8-7-10;/h2,4-5,9-10,13-14,16-17H,1,3,6-8H2;1H/t10?,13?,14-;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.52E+3n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.025
BindingDB Entry DOI: 10.7270/Q2JW8GPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Danio rerio)
BDBM50116163
PNG
(CHEMBL3612243)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)Oc1ccc(O)cc1 |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1S/C15H19NO3.ClH/c17-11-4-6-12(7-5-11)19-15(18)14-10-2-1-3-13(14)16-9-8-10;/h4-7,10,13-14,16-17H,1-3,8-9H2;1H/t10?,13?,14-;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.27E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.025
BindingDB Entry DOI: 10.7270/Q2JW8GPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Danio rerio)
BDBM50116155
PNG
(CHEMBL3612240)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)Oc1ccccc1 |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1S/C15H19NO2.ClH/c17-15(18-12-6-2-1-3-7-12)14-11-5-4-8-13(14)16-10-9-11;/h1-3,6-7,11,13-14,16H,4-5,8-10H2;1H/t11?,13?,14-;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.025
BindingDB Entry DOI: 10.7270/Q2JW8GPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Danio rerio)
BDBM50116081
PNG
(CHEMBL3612238)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)OC |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1S/C10H17NO2.ClH/c1-13-10(12)9-7-3-2-4-8(9)11-6-5-7;/h7-9,11H,2-6H2,1H3;1H/t7?,8?,9-;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.53E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.025
BindingDB Entry DOI: 10.7270/Q2JW8GPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Danio rerio)
BDBM50116153
PNG
(CHEMBL3612239)
Show SMILES Cl.[H][C@]12CCC[C@]([H])([C@@H]1C(=O)OC)N(Cc1ccccc1)CC2 |r,TLB:14:13:8:3.5.4|
Show InChI InChI=1S/C17H23NO2.ClH/c1-20-17(19)16-14-8-5-9-15(16)18(11-10-14)12-13-6-3-2-4-7-13;/h2-4,6-7,14-16H,5,8-12H2,1H3;1H/t14-,15-,16-;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.025
BindingDB Entry DOI: 10.7270/Q2JW8GPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Danio rerio)
BDBM50116169
PNG
(CHEMBL3612245)
Show SMILES Cl.[H][C@]12CCC[C@]([H])([C@@H]1C(=O)OC)N(CC2)C(=O)[C@@H](N)Cc1ccccc1 |r,TLB:16:13:8:3.5.4|
Show InChI InChI=1S/C19H26N2O3.ClH/c1-24-19(23)17-14-8-5-9-16(17)21(11-10-14)18(22)15(20)12-13-6-3-2-4-7-13;/h2-4,6-7,14-17H,5,8-12,20H2,1H3;1H/t14-,15+,16-,17-;/m1./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.58E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.025
BindingDB Entry DOI: 10.7270/Q2JW8GPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Danio rerio)
BDBM50116168
PNG
(CHEMBL3612244)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)N[C@@H](Cc1ccccc1)C(=O)OC |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1S/C19H26N2O3.ClH/c1-24-19(23)16(12-13-6-3-2-4-7-13)21-18(22)17-14-8-5-9-15(17)20-11-10-14;/h2-4,6-7,14-17,20H,5,8-12H2,1H3,(H,21,22);1H/t14?,15?,16-,17+;/m0./s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.025
BindingDB Entry DOI: 10.7270/Q2JW8GPB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%