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BDBM50082795 3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-propylcarbamoyl]-6-methyl-2-oxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL359173

SMILES: COC(=O)C1=C(C)NC(=O)N(C1c1ccc(C)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1

InChI Key: InChIKey=WCGXKZZNDLNAMK-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 = 50082795   
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))
BDBM50082795
PNG
(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(C)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
Show InChI InChI=1S/C31H38N4O6/c1-21-11-13-23(14-12-21)26-25(27(36)40-3)22(2)33-30(39)35(26)29(38)32-17-8-18-34-19-15-31(16-20-34,28(37)41-4)24-9-6-5-7-10-24/h5-7,9-14,26H,8,15-20H2,1-4H3,(H,32,38)(H,33,39)
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UniProtKB/SwissProt

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PC cid
PC sid
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8n/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))
BDBM50082795
PNG
(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(C)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
Show InChI InChI=1S/C31H38N4O6/c1-21-11-13-23(14-12-21)26-25(27(36)40-3)22(2)33-30(39)35(26)29(38)32-17-8-18-34-19-15-31(16-20-34,28(37)41-4)24-9-6-5-7-10-24/h5-7,9-14,26H,8,15-20H2,1-4H3,(H,32,38)(H,33,39)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
77n/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))
BDBM50082795
PNG
(3-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(C)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
Show InChI InChI=1S/C31H38N4O6/c1-21-11-13-23(14-12-21)26-25(27(36)40-3)22(2)33-30(39)35(26)29(38)32-17-8-18-34-19-15-31(16-20-34,28(37)41-4)24-9-6-5-7-10-24/h5-7,9-14,26H,8,15-20H2,1-4H3,(H,32,38)(H,33,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
220n/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