BindingDB logo
myBDB logout

2 similar compounds to monomer 50012152

Compile data set for download or QSAR
Wt: 438.5
BDBM50012151
Wt: 424.5
BDBM50012150

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50012151,50012150   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50012151
PNG
(CHEMBL3264440)
Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mu opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50012151
PNG
(CHEMBL3264440)
Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50012150
PNG
(CHEMBL3264439)
Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
159n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50012150
PNG
(CHEMBL3264439)
Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
186n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mu opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50012151
PNG
(CHEMBL3264440)
Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,24+,26+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
221n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from delta opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50012150
PNG
(CHEMBL3264439)
Show SMILES C[C@H]1CN(CCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-17-16-27(9-8-25(17,2)20-4-3-5-21(28)14-20)10-11-31-24(30)23-13-18-6-7-22(29)12-19(18)15-26-23/h3-7,12,14,17,23,26,28-29H,8-11,13,15-16H2,1-2H3/t17-,23+,25+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
475n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from delta opioid receptor (unknown origin) expressed in CHO cells membranes


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair