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BDBM50082861 3-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL142398

SMILES: COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1Cl

InChI Key: InChIKey=RXBNQUXJGAHNLL-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082861   
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))
BDBM50082861
PNG
(3-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propylca...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1Cl |c:4|
Show InChI InChI=1S/C27H30ClF2N5O4/c1-17-23(25(36)39-2)24(18-8-9-20(29)21(30)16-18)35(27(38)32-17)26(37)31-10-5-11-33-12-14-34(15-13-33)22-7-4-3-6-19(22)28/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,31,37)(H,32,38)
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UniProtKB/SwissProt

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PC cid
PC sid
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0.200n/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
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50082861
PNG
(3-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propylca...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1Cl |c:4|
Show InChI InChI=1S/C27H30ClF2N5O4/c1-17-23(25(36)39-2)24(18-8-9-20(29)21(30)16-18)35(27(38)32-17)26(37)31-10-5-11-33-12-14-34(15-13-33)22-7-4-3-6-19(22)28/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,31,37)(H,32,38)
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14n/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
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50082861
PNG
(3-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propylca...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1Cl |c:4|
Show InChI InChI=1S/C27H30ClF2N5O4/c1-17-23(25(36)39-2)24(18-8-9-20(29)21(30)16-18)35(27(38)32-17)26(37)31-10-5-11-33-12-14-34(15-13-33)22-7-4-3-6-19(22)28/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,31,37)(H,32,38)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
15n/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