BDBM60917 9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid::9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;mesylic acid::9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid::FENOLDOPAM::FENOLDOPAM MESYLATE::MLS001401388::SMR000469190::cid_49659

SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12

InChI Key InChIKey=TVURRHSHRRELCG-UHFFFAOYSA-N

Data  20 KI  9 IC50  5 Kd  5 EC50

PDB links: 3 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 39 hits for monomerid = 60917   

LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity against Dopamine receptor D1 in rat striatal membranes using [3H]SCH-23390More data for this Ligand-Target Pair
In DepthDetails PDB3D3D Structure (crystal)
TargetDopamine receptor D4(Dog)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  2.80nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranesMore data for this Ligand-Target Pair
TargetD(1B) dopamine receptor(Rat)
Duke University

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  13nMAssay Description:Binding affinity against Dopamine receptor D2 in rat striatal membranes using [3H]spiperoneMore data for this Ligand-Target Pair
In DepthDetails
TargetD(1B) dopamine receptor(Human)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  15nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Human)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  16nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(1A) dopamine receptor(Human)
Duke University

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  17nMMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(OK)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  22nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(1A) dopamine receptor(Human)
Duke University

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  28nMMore data for this Ligand-Target Pair
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  35nMAssay Description:Compound was tested for its binding affinity against Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
TargetD(1A) dopamine receptor(Human)
Duke University

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  40nMAssay Description:Affinity towards Dopamine receptor D1More data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Rat)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  91nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  151nMAssay Description:Compound was tested for its binding affinity against Alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails DrugBank

TargetDopamine receptor D4(Dog)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  321nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  790nMAssay Description:Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1B) dopamine receptor(Human)
University of Toronto

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  800nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Human)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  810nMAssay Description:Affinity towards Dopamine receptor D2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Human)
Duke University

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  1.82E+3nMMore data for this Ligand-Target Pair
TargetLysine-specific demethylase 4E(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKi:  1.92E+3nMAssay Description:Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Human)
Duke University

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataEC50:  2.80nMAssay Description:Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed as reversal of Ro 20-1724 mediated decrease in cAMP accumulation aft...More data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(Human)
Duke University

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataEC50:  32nMAssay Description:Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed as assessed as increase in beta-arrestin-2 recruitment after 60 mins...More data for this Ligand-Target Pair
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
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 ArticlePubMed
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
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 ArticlePubMed
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
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 ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
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 ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataIC50: >1.00E+6nMAssay 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 ArticlePubMed
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKd:  2.70E+3nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Human)
Duke University

Curated by PDSP Ki Database
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKd:  28nMAssay Description:Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cellsMore data for this Ligand-Target Pair
TargetLysine-specific histone demethylase 1A(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataIC50:  890nMAssay Description:Tested for antagonist activity at NK-2 tachykinin receptors in hamster tracheaMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKd:  1.30E+3nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKd:  1.30E+4nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataEC50:  57nMAssay Description:Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-sensitive rat adenylate cyclase in caudate membranesMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataIC50:  1.58E+3nMAssay Description:Displacement of [3H]-spiroperidol from homogenized bovine pituitary Dopamine receptor D2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataIC50: >2.99E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataEC50:  2.70E+3nMMore data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataIC50:  8.04E+3nMMore data for this Ligand-Target Pair
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM60917(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Affinity DataKd:  1.90E+3nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed