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BDBM50027102 CHEMBL2113377

SMILES: [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O

InChI Key: InChIKey=ZLCHACBECUMKAL-SSNGLDLMSA-N

Data: 3 KI  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50027102   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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Article
PubMed
36n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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Article
PubMed
37n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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Article
PubMed
n/an/an/an/a 272n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expressed in CHO cells


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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Article
PubMed
n/an/an/an/a 936n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
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Article
PubMed
n/an/an/an/a 4.70n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair