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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50008782'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50008782
PNG
(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
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PC cid
PC sid
UniChem

Similars

PubMed
0.0100n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Psychiatry 3: 123-34 (1998)


BindingDB Entry DOI: 10.7270/Q2G15ZCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50008782
PNG
(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0300n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Eur J Pharmacol 291: 59-66 (1995)


BindingDB Entry DOI: 10.7270/Q2TT4PHV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50008782
PNG
(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0600n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Eur J Pharmacol 291: 59-66 (1995)


BindingDB Entry DOI: 10.7270/Q2TT4PHV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50008782
PNG
(CHEMBL44237 | EPIDEPRIDE | Epidepride;N-(1-Ethyl-p...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC
Show InChI InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.270n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Eur J Pharmacol 291: 59-66 (1995)


BindingDB Entry DOI: 10.7270/Q2TT4PHV
More data for this
Ligand-Target Pair