BindingDB logo
myBDB logout

PubMed code 10966754

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


(Homo sapiens (Human))
BDBM50066535
PNG
((2E)-3-(4-chlorophenyl)-N-[(1R,13R,17S)-4-(cyclopr...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23?,27-,28-,29+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.25n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]- DAMGO on Opioid receptor mu 1 in monkey brain membranes


J Med Chem 43: 3348-50 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50091405
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3OC |r|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6+/t24?,28?,29-,30?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.460n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]- DAMGO on Opioid receptor mu 1 in monkey brain membranes


J Med Chem 43: 3348-50 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50091404
PNG
(1N-[4-cyclopropylmethyl-14-oxo-(13R)-12-oxa-4-azap...)
Show SMILES Clc1ccc(\C=C\C(=O)NC23CCC(=O)C4Oc5cccc6CC2N(CC2CC2)CC[C@@]34c56)cc1 |THB:17:32:10:24.30.29,20:21:10:24.30.29|
Show InChI InChI=1S/C29H29ClN2O3/c30-21-9-6-18(7-10-21)8-11-25(34)31-29-13-12-22(33)27-28(29)14-15-32(17-19-4-5-19)24(29)16-20-2-1-3-23(35-27)26(20)28/h1-3,6-11,19,24,27H,4-5,12-17H2,(H,31,34)/b11-8+/t24?,27?,28-,29?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.540n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]- DAMGO on Opioid receptor mu 1 in monkey brain membranes range; Value ranges from (0.32-0.91)


J Med Chem 43: 3348-50 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50066535
PNG
((2E)-3-(4-chlorophenyl)-N-[(1R,13R,17S)-4-(cyclopr...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23?,27-,28-,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]- DPDPE on Opioid receptor delta 1 in monkey brain membranes


J Med Chem 43: 3348-50 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50091405
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3OC |r|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6+/t24?,28?,29-,30?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]- DPDPE on Opioid receptor delta 1 in monkey brain membranes


J Med Chem 43: 3348-50 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50066535
PNG
((2E)-3-(4-chlorophenyl)-N-[(1R,13R,17S)-4-(cyclopr...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3O |r,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23?,27-,28-,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
7.20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]- U-69,593 on Opioid receptor kappa 1 in monkey brain membranes


J Med Chem 43: 3348-50 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50091404
PNG
(1N-[4-cyclopropylmethyl-14-oxo-(13R)-12-oxa-4-azap...)
Show SMILES Clc1ccc(\C=C\C(=O)NC23CCC(=O)C4Oc5cccc6CC2N(CC2CC2)CC[C@@]34c56)cc1 |THB:17:32:10:24.30.29,20:21:10:24.30.29|
Show InChI InChI=1S/C29H29ClN2O3/c30-21-9-6-18(7-10-21)8-11-25(34)31-29-13-12-22(33)27-28(29)14-15-32(17-19-4-5-19)24(29)16-20-2-1-3-23(35-27)26(20)28/h1-3,6-11,19,24,27H,4-5,12-17H2,(H,31,34)/b11-8+/t24?,27?,28-,29?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
12n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]- U-69,593 on Opioid receptor kappa 1 in monkey brain membranes range; Value ranges from (9.7-14.2)


J Med Chem 43: 3348-50 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50091405
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R)-12...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(Cl)cc1)ccc3OC |r|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6+/t24?,28?,29-,30?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
29n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]- U-69,593 on Opioid receptor kappa 1 in monkey brain membranes


J Med Chem 43: 3348-50 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50091404
PNG
(1N-[4-cyclopropylmethyl-14-oxo-(13R)-12-oxa-4-azap...)
Show SMILES Clc1ccc(\C=C\C(=O)NC23CCC(=O)C4Oc5cccc6CC2N(CC2CC2)CC[C@@]34c56)cc1 |THB:17:32:10:24.30.29,20:21:10:24.30.29|
Show InChI InChI=1S/C29H29ClN2O3/c30-21-9-6-18(7-10-21)8-11-25(34)31-29-13-12-22(33)27-28(29)14-15-32(17-19-4-5-19)24(29)16-20-2-1-3-23(35-27)26(20)28/h1-3,6-11,19,24,27H,4-5,12-17H2,(H,31,34)/b11-8+/t24?,27?,28-,29?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
37n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]- DPDPE on Opioid receptor delta 1 in monkey brain membranes range; Value ranges from (34.0-43.2)


J Med Chem 43: 3348-50 (2000)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%