null

SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12

InChI Key InChIKey=GDLIGKIOYRNHDA-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

  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 28 hits for monomerid = 77970   

TargetTrypanothione reductase(Trypanosoma cruzi)
Alma Mater Studiorum-Bologna University

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 3.80E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of Turku

Curated by PDSP Ki Database
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Inhibition of uptake of 5-HT in rat brain cortexMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GT5NQDPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:In vivo inhibition of uptake of 5-HT in human plateletsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GT5NQDPubMedDrugBank
TargetTransporter(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Inhibition of uptake of noradrenaline in rat brain hypothalamusMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GT5NQDPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of uptake of dopamine (DA) rat brain striatumMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GT5NQDPubMed
TargetHistamine H1 receptor(RAT)
Universidad de Valencia

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMAssay Description:Compound tested for its inhibitory activity against Histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N0176GPubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 0.0400nMAssay Description:Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N0176GPubMed
TargetHistamine H2 receptor(Cavia porcellus (domestic guinea pig))
Universidad de Valencia

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 720nMAssay Description:Inhibitory activity against brain adenylate cyclase Histamine H2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N0176GPubMed
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Z321T8PubMed
TargetTrypanothione reductase(Trypanosoma cruzi)
Alma Mater Studiorum-Bologna University

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.23E+4nMAssay Description:Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21(DE3) assessed as reduction of oxidized trypanothione prein...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4XKQPubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.93E+4nMAssay Description:Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopyMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23779MDPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20JNPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 3.74E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZP488MPubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetTrypanothione reductase(Trypanosoma cruzi)
Alma Mater Studiorum-Bologna University

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.52E+4nMAssay Description:Inhibition of Trypanosoma cruzi trypanothione reductase expressed in Escherichia coli BL21 (DE3) pre-incubated for 30 mins using TS2 substrate in pre...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R2141MPubMed
TargetMitochondrial import inner membrane translocase subunit TIM10(Saccharomyces cerevisiae S288c)
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 3.78E+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/Q2F18X6WPCBioAssay
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Mayo Clinic Jacksonville

Curated by PDSP Ki Database
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 2.78E+3nMAssay Description:Displacement of [3H]Win35428 from human recombinant DAT over-expressed in CHOK1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85C2TPubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Lilly Research Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 65nMAssay Description:Displacement of [3H]Nisoxetine from human recombinant NET over-expressed in dog MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B85C2TPubMedDrugBank
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 9.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78K6MPubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(RAT)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 1.16E+4nMAssay Description:Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79D5CPubMed
TargetTrypanothione reductase(Trypanosoma brucei brucei)
Canisius College

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of recombinant Trypanosoma brucei brucei strain S427 trypanothione reductase assessed as reduction of trypanothione disulphide by 412 nm a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P9166PubMed
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 minsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2P270P4PubMed
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 900nMAssay Description:Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 minsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2P270P4PubMed
TargetTransporter(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 900nMAssay Description:In vitro inhibition of accumulation of (-)-[3H]-Norepinephrine (NA) in mouse brain slicesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BG2N05PubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of Turku

Curated by PDSP Ki Database
LigandPNGBDBM77970(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:In vitro inhibition of accumulation of [14C]-5-HT (5-HT) in mouse brain slicesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BG2N05PubMed