BDBM50001119 8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl)-7,8-dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]naphthalene-2-carbonitrile::CHEMBL101535
SMILES: O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
InChI Key: InChIKey=FMCRANLYZLAXGN-UHFFFAOYSA-N
Data: 5 KI
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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Opioid receptor (Rattus norvegicus (rat)-RAT) | BDBM50001119 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company Curated by ChEMBL | Assay Description Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand | J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50001119 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company Curated by ChEMBL | Assay Description Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes | J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50001119 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company Curated by ChEMBL | Assay Description Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand | J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50001119 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company Curated by ChEMBL | Assay Description Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand | J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human)) | BDBM50001119 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn Company Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor expressed in CHO cell membranes using [3H]ketanserin (60 Ci/mmol, 1 nM) | J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5 | |||||||||||
More data for this Ligand-Target Pair |