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BDBM50082852 4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylcarbamoyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL146654

SMILES: COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC

InChI Key: InChIKey=VRERDSWPFMZSEX-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 = 50082852   
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))
BDBM50082852
PNG
(4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-methoxy-phenyl)...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC |c:4|
Show InChI InChI=1S/C28H33F2N5O5/c1-18-24(26(36)40-3)25(19-9-10-20(29)21(30)17-19)35(28(38)32-18)27(37)31-11-6-12-33-13-15-34(16-14-33)22-7-4-5-8-23(22)39-2/h4-5,7-10,17,25H,6,11-16H2,1-3H3,(H,31,37)(H,32,38)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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0.100n/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: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50082852
PNG
(4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-methoxy-phenyl)...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC |c:4|
Show InChI InChI=1S/C28H33F2N5O5/c1-18-24(26(36)40-3)25(19-9-10-20(29)21(30)17-19)35(28(38)32-18)27(37)31-11-6-12-33-13-15-34(16-14-33)22-7-4-5-8-23(22)39-2/h4-5,7-10,17,25H,6,11-16H2,1-3H3,(H,31,37)(H,32,38)
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
18n/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: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50082852
PNG
(4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-methoxy-phenyl)...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC |c:4|
Show InChI InChI=1S/C28H33F2N5O5/c1-18-24(26(36)40-3)25(19-9-10-20(29)21(30)17-19)35(28(38)32-18)27(37)31-11-6-12-33-13-15-34(16-14-33)22-7-4-5-8-23(22)39-2/h4-5,7-10,17,25H,6,11-16H2,1-3H3,(H,31,37)(H,32,38)
Reactome pathway
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antibodypedia
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PC cid
PC sid
UniChem
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31n/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: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair