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SMILES: NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12

InChI Key: InChIKey=QQXCPIPMLCDOFK-UHFFFAOYSA-N

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 = 50297313   
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))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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17n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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560n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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2.70E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
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n/an/an/an/a 110n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
PDB
MMDB

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n/an/a 1.16E+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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50297313
PNG
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide ...)
Show SMILES NC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10|
Show InChI InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 440n/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