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BDBM50082803 1-(3-{[4-Ethyl-5-methylcarbamoyl-6-(4-nitro-phenyl)-2-oxo-3,6-dihydro-2H-pyrimidine-1-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL145752

SMILES: CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NC

InChI Key: InChIKey=QYNUTROASKYRGA-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 = 50082803   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082803
PNG
(1-(3-{[4-Ethyl-5-methylcarbamoyl-6-(4-nitro-phenyl...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NC |t:2|
Show InChI InChI=1S/C31H38N6O7/c1-4-24-25(27(38)32-2)26(21-11-13-23(14-12-21)37(42)43)36(30(41)34-24)29(40)33-17-8-18-35-19-15-31(16-20-35,28(39)44-3)22-9-6-5-7-10-22/h5-7,9-14,26H,4,8,15-20H2,1-3H3,(H,32,38)(H,33,40)(H,34,41)
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1.20n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.


J Med Chem 42: 4764-77 (1999)


BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50082803
PNG
(1-(3-{[4-Ethyl-5-methylcarbamoyl-6-(4-nitro-phenyl...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NC |t:2|
Show InChI InChI=1S/C31H38N6O7/c1-4-24-25(27(38)32-2)26(21-11-13-23(14-12-21)37(42)43)36(30(41)34-24)29(40)33-17-8-18-35-19-15-31(16-20-35,28(39)44-3)22-9-6-5-7-10-22/h5-7,9-14,26H,4,8,15-20H2,1-3H3,(H,32,38)(H,33,40)(H,34,41)
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PubMed
139n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.


J Med Chem 42: 4764-77 (1999)


BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50082803
PNG
(1-(3-{[4-Ethyl-5-methylcarbamoyl-6-(4-nitro-phenyl...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NC |t:2|
Show InChI InChI=1S/C31H38N6O7/c1-4-24-25(27(38)32-2)26(21-11-13-23(14-12-21)37(42)43)36(30(41)34-24)29(40)33-17-8-18-35-19-15-31(16-20-35,28(39)44-3)22-9-6-5-7-10-22/h5-7,9-14,26H,4,8,15-20H2,1-3H3,(H,32,38)(H,33,40)(H,34,41)
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PC sid
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398n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1D adrenergic receptor of human liver microsomes.


J Med Chem 42: 4764-77 (1999)


BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair