BindingDB logo
myBDB logout

PubMed code 8246236

Compile data set for download or QSAR
Found 6 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


(GUINEA PIG)		BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 4.80n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against mu-opioid receptor in guinea pig ileum

J Med Chem 36: 3669-73 (1994)


BindingDB Entry DOI: 10.7270/Q2W096JR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50042660
PNG
(2-amino-3-{1-[4-cyclopropylmethyl-10,17-dihydroxy-...)
Show SMILES COC(=O)CC(SCC(N)C(O)=O)C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |THB:28:39:19:34.32.33,24:23:19:34.32.33|
Show InChI InChI=1S/C28H37N3O8S/c1-38-21(33)11-19(40-13-16(29)26(35)36)25(34)30-17-6-7-28(37)20-10-15-4-5-18(32)23-22(15)27(28,24(17)39-23)8-9-31(20)12-14-2-3-14/h4-5,14,16-17,19-20,24,32,37H,2-3,6-13,29H2,1H3,(H,30,34)(H,35,36)/t16?,17-,19?,20?,24+,27+,28-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against mu-opioid receptor in guinea pig ileum

J Med Chem 36: 3669-73 (1994)


BindingDB Entry DOI: 10.7270/Q2W096JR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50042662
PNG
(2-amino-4-(1-carboxymethylcarbamoyl-2-{1-[4-cyclop...)
Show SMILES COC(=O)CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |THB:37:36:32:47.45.46,41:52:32:47.45.46|
Show InChI InChI=1S/C35H47N5O12S/c1-51-27(45)13-23(53-16-21(31(46)37-14-26(43)44)38-25(42)7-5-19(36)33(48)49)32(47)39-20-8-9-35(50)24-12-18-4-6-22(41)29-28(18)34(35,30(20)52-29)10-11-40(24)15-17-2-3-17/h4,6,17,19-21,23-24,30,41,50H,2-3,5,7-16,36H2,1H3,(H,37,46)(H,38,42)(H,39,47)(H,43,44)(H,48,49)/t19?,20-,21?,23?,24?,30+,34+,35-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against mu-opioid receptor in guinea pig ileum

J Med Chem 36: 3669-73 (1994)


BindingDB Entry DOI: 10.7270/Q2W096JR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 82n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against mu-opioid receptor in mouse vas deferens

J Med Chem 36: 3669-73 (1994)


BindingDB Entry DOI: 10.7270/Q2W096JR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50042660
PNG
(2-amino-3-{1-[4-cyclopropylmethyl-10,17-dihydroxy-...)
Show SMILES COC(=O)CC(SCC(N)C(O)=O)C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |THB:28:39:19:34.32.33,24:23:19:34.32.33|
Show InChI InChI=1S/C28H37N3O8S/c1-38-21(33)11-19(40-13-16(29)26(35)36)25(34)30-17-6-7-28(37)20-10-15-4-5-18(32)23-22(15)27(28,24(17)39-23)8-9-31(20)12-14-2-3-14/h4-5,14,16-17,19-20,24,32,37H,2-3,6-13,29H2,1H3,(H,30,34)(H,35,36)/t16?,17-,19?,20?,24+,27+,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 140n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against mu-opioid receptor in mouse vas deferens

J Med Chem 36: 3669-73 (1994)


BindingDB Entry DOI: 10.7270/Q2W096JR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50042662
PNG
(2-amino-4-(1-carboxymethylcarbamoyl-2-{1-[4-cyclop...)
Show SMILES COC(=O)CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)N[C@@H]1CC[C@@]2(O)C3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |THB:37:36:32:47.45.46,41:52:32:47.45.46|
Show InChI InChI=1S/C35H47N5O12S/c1-51-27(45)13-23(53-16-21(31(46)37-14-26(43)44)38-25(42)7-5-19(36)33(48)49)32(47)39-20-8-9-35(50)24-12-18-4-6-22(41)29-28(18)34(35,30(20)52-29)10-11-40(24)15-17-2-3-17/h4,6,17,19-21,23-24,30,41,50H,2-3,5,7-16,36H2,1H3,(H,37,46)(H,38,42)(H,39,47)(H,43,44)(H,48,49)/t19?,20-,21?,23?,24?,30+,34+,35-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 280n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory concentration against mu-opioid receptor in mouse vas deferens

J Med Chem 36: 3669-73 (1994)


BindingDB Entry DOI: 10.7270/Q2W096JR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%