BDBM50007567 1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine::CHEMBL64875::OCTOCLOTHEPIN-R
SMILES: CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
InChI Key: InChIKey=XRYLGRGAWQSVQW-QGZVFWFLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]prozosin from rat cloned alpha1d receptor | J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate | J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description In vitro binding affinity towards 5-hydroxytryptamine 2A receptor in rat tissue homogenate using [3H]ketanserin as radioligand | J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ADRA1B (C.H.O.) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]prozosin from hamster cloned alpha1b receptor | J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cerebral cortex alpha adrenergic receptor (CALF) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells | J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ADRA1B (C.H.O.) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cerebral cortex alpha adrenergic receptor (CALF) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DRD2 (CANINE) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by PDSP Ki Database | Nature 350: 610-4 (1991) Article DOI: 10.1038/350610a0 BindingDB Entry DOI: 10.7270/Q24T6GVD | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate | J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description In vitro binding affinity towards Dopamine receptor D1 in rat tissue homogenate using [3H]-SCH- 23390 as radioligand | J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand | J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate | J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]-YM-09151-2 (0.06 nM) from human Dopamine receptor D4 expressed in CHO cells | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]spiperone (0.5 nM) from rat corpus striatum dopamine D2 receptor | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells | J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells | J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DRD2 (CANINE) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by PDSP Ki Database | Nature 350: 610-4 (1991) Article DOI: 10.1038/350610a0 BindingDB Entry DOI: 10.7270/Q24T6GVD | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Rattus norvegicus (Rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description In vitro binding affinity towards Dopamine receptor D3 in Sf9 cell membranes using [3H]7-OH-DPAT as radioligand | J Med Chem 47: 143-57 (2003) Article DOI: 10.1021/jm0309811 BindingDB Entry DOI: 10.7270/Q2VM4CRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Rattus norvegicus (Rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate | J Med Chem 45: 344-59 (2002) BindingDB Entry DOI: 10.7270/Q2TX3G26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1 | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Ability to displace [3H]ketanserin (0.5 nM) from cerebral cortex of rat 5-hydroxytryptamine 2A receptor | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Ability to inhibit binding of [3H]PRAZ to alpha-1 adrenergic receptor in rat brain | J Med Chem 34: 2023-30 (1991) BindingDB Entry DOI: 10.7270/Q2KD1WVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Ability to inhibit binding of [3H]KET to 5-hydroxytryptamine 2 receptor in rat cortex | J Med Chem 34: 2023-30 (1991) BindingDB Entry DOI: 10.7270/Q2KD1WVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lund Curated by ChEMBL | Assay Description Binding affinity against Dopamine receptor D2 using [3H]spiroperidol | J Med Chem 31: 306-12 (1988) BindingDB Entry DOI: 10.7270/Q29887KQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Ability to inhibit binding of [3H]-SPI to dopamine receptor D2 in rat striatal membranes | J Med Chem 34: 2023-30 (1991) BindingDB Entry DOI: 10.7270/Q2KD1WVC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50007567 (1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Ability to inhibit binding of [3H]-SCH- 23390 to Dopamine receptor D1 in rat striatal membranes | J Med Chem 34: 2023-30 (1991) BindingDB Entry DOI: 10.7270/Q2KD1WVC | |||||||||||
More data for this Ligand-Target Pair |