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3 similar compounds to monomer 50228815

Compile data set for download or QSAR
Wt: 392.4
BDBM50228809
Wt: 455.4
BDBM50228812
Wt: 361.4
BDBM50228813

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50228809,50228812,50228813   
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
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228809
PNG
(CHEMBL88449)
Show SMILES CCO\C(O)=C1\C(N(C(=O)N(C)C)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H20N4O5S/c1-5-26-15(22)13-10(2)18-16(27)20(17(23)19(3)4)14(13)11-7-6-8-12(9-11)21(24)25/h6-9,14,22H,5H2,1-4H3/b15-13+
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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50228813
PNG
(CHEMBL87419)
Show SMILES O=c1ccoc2cc(OCCCN3CCC(=CC3)c3ccccc3)ccc12
Show InChI InChI=1S/C23H23NO3/c25-22-11-16-27-23-17-20(7-8-21(22)23)26-15-4-12-24-13-9-19(10-14-24)18-5-2-1-3-6-18/h1-3,5-9,11,16-17H,4,10,12-15H2
MMDB

Reactome pathway
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Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory binding activity against Dopamine receptor in rat striatal membranes using [3H]HAL as the radioligand.


J Med Chem 34: 248-56 (1991)


Article DOI: 10.1021/jm00105a039
BindingDB Entry DOI: 10.7270/Q20Z73WT
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228812
PNG
(CHEMBL315125)
Show SMILES CCO\C(O)=C1\C(N(C(=O)c2ccc(OC)cc2)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O6S/c1-4-31-21(27)18-13(2)23-22(32)24(20(26)14-8-10-17(30-3)11-9-14)19(18)15-6-5-7-16(12-15)25(28)29/h5-12,19,27H,4H2,1-3H3/b21-18+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
More data for this
Ligand-Target Pair