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4 similar compounds to monomer 50213876

Compile data set for download or QSAR
Wt: 295.4
BDBM50213836
Wt: 209.2
BDBM50213844
Wt: 271.3
BDBM50213842
Wt: 365.9
BDBM50213856

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50213836,50213844,50213842,50213856   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50213844
PNG
(CHEMBL3350819)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8-,9-,10-/m0/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA


Bioorg Med Chem Lett 6: 1163-1166 (1996)


Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50213856
PNG
(CHEMBL21011)
Show SMILES CCC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-4-20(2,3)19(25)22-11-5-6-12-23-13-15-24(16-14-23)18-9-7-17(21)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
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16n/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
Melatonin receptor


(Homo sapiens (Human))
BDBM50213842
PNG
(CHEMBL10816)
Show SMILES CC(=O)NCCc1cccc2ccc3OCC(O)c3c12
Show InChI InChI=1S/C16H17NO3/c1-10(18)17-8-7-12-4-2-3-11-5-6-14-16(15(11)12)13(19)9-20-14/h2-6,13,19H,7-9H2,1H3,(H,17,18)
PDB

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130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FN18CT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213856
PNG
(CHEMBL21011)
Show SMILES CCC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H32ClN3O/c1-4-20(2,3)19(25)22-11-5-6-12-23-13-15-24(16-14-23)18-9-7-17(21)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
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1.00E+3n/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
Muscarinic acetylcholine receptor


(RAT)
BDBM50213836
PNG
(CHEMBL99424)
Show SMILES CCCCCCOc1nsnc1[C@@H]1C[N@]2C[C@@H]1CCC2
Show InChI InChI=1S/C15H25N3OS/c1-2-3-4-5-9-19-15-14(16-20-17-15)13-11-18-8-6-7-12(13)10-18/h12-13H,2-11H2,1H3/t12-,13+/m0/s1
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Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand


Bioorg Med Chem Lett 8: 2897-902 (1999)


Article DOI: 10.1016/s0960-894x(98)00509-5
BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair