BDBM50297333 CHEMBL562898::N,N-Diethyl-4-(spiro[chromene-2,4'-piperidine]-4-yl)thiophene-2-carboxamide
SMILES: CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12
InChI Key: InChIKey=ZIDVNUPMZWXECL-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50297333 (CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50297333 (CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50297333 (CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50297333 (CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3.46E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50297333 (CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/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 |