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BDBM50297326 CHEMBL563700::N,N-Diethyl-4-(spiro[chromene-2,3'-piperidine]-4-yl)benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12

InChI Key: InChIKey=GRPWVPMQIZXAHG-UHFFFAOYSA-N

Data: 1 KI  2 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 4 hits for monomerid = 50297326   
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))
BDBM50297326
PNG
(CHEMBL563700 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-12-10-18(11-13-19)21-16-24(14-7-15-25-17-24)28-22-9-6-5-8-20(21)22/h5-6,8-13,16,25H,3-4,7,14-15,17H2,1-2H3
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Article
PubMed
56n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50297326
PNG
(CHEMBL563700 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-12-10-18(11-13-19)21-16-24(14-7-15-25-17-24)28-22-9-6-5-8-20(21)22/h5-6,8-13,16,25H,3-4,7,14-15,17H2,1-2H3
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297326
PNG
(CHEMBL563700 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-12-10-18(11-13-19)21-16-24(14-7-15-25-17-24)28-22-9-6-5-8-20(21)22/h5-6,8-13,16,25H,3-4,7,14-15,17H2,1-2H3
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PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297326
PNG
(CHEMBL563700 | N,N-Diethyl-4-(spiro[chromene-2,3'-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNC2)Oc2ccccc12 |t:14|
Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-12-10-18(11-13-19)21-16-24(14-7-15-25-17-24)28-22-9-6-5-8-20(21)22/h5-6,8-13,16,25H,3-4,7,14-15,17H2,1-2H3
PDB

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Article
PubMed
n/an/an/an/a 480n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair