null

SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12

InChI Key InChIKey=XRYLGRGAWQSVQW-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 22872   

TargetHistamine H1 receptor(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.190nMAssay Description:Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4W0PPubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z60MNBPubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z60MNBPubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.230nMAssay Description:Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TX3G26PubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.380nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2154FJQPubMed
TargetD(4) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z60MNBPubMed
Target5-hydroxytryptamine receptor 6(RAT)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.410nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2154FJQPubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.5nMAssay Description:Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TX3G26PubMed
TargetAlpha-1B adrenergic receptor(C.H.O.)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.560nMAssay Description:Displacement of [3H]prozosin from hamster cloned alpha1b receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4W0PPubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.570nMAssay Description:Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4W0PPubMed
TargetAlpha-1A adrenergic receptor(CALF)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.660nMAssay Description:Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4W0PPubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.670nMAssay Description:Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4W0PPubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.700nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z60MNBPubMed
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.770nMAssay Description:Displacement of [3H]prozosin from rat cloned alpha1d receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20C4W0PPubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
ACADIA Pharmaceuticals

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  0.900nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z60MNBPubMed
Target5-hydroxytryptamine receptor 7(Rattus norvegicus (rat))
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  1.30nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2154FJQPubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  1.58nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2154FJQPubMed
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
University of Washington

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2721PubMed
TargetD(1A) dopamine receptor(RAT)
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  2.30nMAssay Description:Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TX3G26PubMed
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  2.40nMAssay Description:Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenateMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2TX3G26PubMed
Target5-hydroxytryptamine receptor 7(GUINEA PIG)
Syntex Discovery Research

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  2.51nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2610XTRPubMed
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
University of Washington

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  2.60nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2721PubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  12.6nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2154FJQPubMed
Target5-hydroxytryptamine receptor 6(RAT)
Case Western Reserve University

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  17.7nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2154FJQPubMed
Target5-hydroxytryptamine receptor 7(GUINEA PIG)
Syntex Discovery Research

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  32.4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2610XTRPubMed
TargetTrace amine-associated receptor 1(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi:  493nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G15ZD5PubMed
TargetHistamine H4 receptor(Homo sapiens (Human))
Vrije Universiteit Amsterdam

LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nM ΔG°: >-7.09kcal/molepH: 7.4 T: 2°CAssay Description:Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KD1W6VPubMed
TargetPotassium channel subfamily K member 9(Homo sapiens (Human))
Universidad de Talca

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataIC50: 7.38E+4nMAssay Description:Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4V7BPubMed
TargetD(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JH3MR6PubMed
TargetD(1A) dopamine receptor(RAT)
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataIC50: 2.20nMAssay Description:Ability to inhibit binding of [3H]-SCH- 23390 to Dopamine receptor D1 in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KD1WVCPubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Siena

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataIC50: 2.40nMAssay Description:Ability to inhibit binding of [3H]-SPI to dopamine receptor D2 in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KD1WVCPubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
H. Lundbeck A/S

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataIC50: 0.180nMAssay Description:Ability to inhibit binding of [3H]PRAZ to alpha-1 adrenergic receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KD1WVCPubMed
TargetSerotonin 2 (5-HT2) receptor(RAT)
H. Lundbeck A/S

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataIC50: 0.570nMAssay Description:Ability to inhibit binding of [3H]KET to 5-hydroxytryptamine 2 receptor in rat cortexMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2KD1WVCPubMed
TargetPotassium channel subfamily K member 9(Homo sapiens (Human))
Universidad de Talca

Curated by ChEMBL
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataIC50: 7.38E+4nMAssay Description:Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TT4V7BPubMed
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM22872(1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-y...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2X34VX0PCBioAssay