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2 similar compounds to monomer 50213966

Compile data set for download or QSAR
Wt: 403.5
BDBM50213958
Wt: 430.0
BDBM50213967

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50213958,50213967   
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
Dopamine receptor


(Homo sapiens (Human))
BDBM50213967
PNG
(CHEMBL21119)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C25H36ClN3O/c26-22-3-5-23(6-4-22)29-11-9-28(10-12-29)8-2-1-7-27-24(30)25-16-19-13-20(17-25)15-21(14-19)18-25/h3-6,19-21H,1-2,7-18H2,(H,27,30)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213967
PNG
(CHEMBL21119)
Show SMILES Clc1ccc(cc1)N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
Show InChI InChI=1S/C25H36ClN3O/c26-22-3-5-23(6-4-22)29-11-9-28(10-12-29)8-2-1-7-27-24(30)25-16-19-13-20(17-25)15-21(14-19)18-25/h3-6,19-21H,1-2,7-18H2,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

631n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50213958
PNG
(CHEMBL298928)
Show SMILES CC(C)\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
Show InChI InChI=1S/C21H29N3O3S/c1-15(2)23-19-18(20(25)21(19)26)22-8-4-7-11-27-16-12-17(28-14-16)13-24-9-5-3-6-10-24/h4,7,12,14-15,25-26H,3,5-6,8-11,13H2,1-2H3/b7-4-,22-18-,23-19-
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 0.780n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XP773S
More data for this
Ligand-Target Pair