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BDBM50092710 CHEMBL415521::N,N-Diethyl-4-(phenyl-piperidin-4-ylidene-methyl)-benzamide::N,N-diethyl-4-(phenyl(piperidin-4-ylidene)methyl)benzamide

SMILES: [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1ccccc1

InChI Key: InChIKey=SMUGAZNLKPFBSB-UHFFFAOYSA-N

Data: 4 IC50  1 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 5 hits for monomerid = 50092710   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092710
PNG
(CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
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Article
PubMed
n/an/a 0.870n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.


J Med Chem 43: 3895-905 (2000)


Article DOI: 10.1021/jm000229p
BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092710
PNG
(CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
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n/an/an/an/a 7.20n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.


J Med Chem 43: 3895-905 (2000)


Article DOI: 10.1021/jm000229p
BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50092710
PNG
(CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
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PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50092710
PNG
(CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor mu 1 in human HEK293S cells using [125I]FK33824 as radioligand.


J Med Chem 43: 3895-905 (2000)


Article DOI: 10.1021/jm000229p
BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092710
PNG
(CHEMBL415521 | N,N-Diethyl-4-(phenyl-piperidin-4-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3
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Article
PubMed
n/an/a 7.47E+3n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor kappa 1 in human HEK293S cells using [125I]-D-Pro10-dynorphin A[1-11] as radioligand.


J Med Chem 43: 3895-905 (2000)


Article DOI: 10.1021/jm000229p
BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair