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BDBM50007702 6-Chloro-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide::CHEMBL543398

SMILES: CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1

InChI Key: InChIKey=OZWXDWVFTIFZHS-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50007702   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007702
PNG
(6-Chloro-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007702
PNG
(6-Chloro-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
77n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL




J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007702
PNG
(6-Chloro-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO2/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11/h2-6,9,14,20-21H,7-8,10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards dopamine receptor D2 at high affinity state.


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair