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1 similar compounds to monomer 50082825

Compile data set for download or QSAR
Wt: 584.6
BDBM50082813

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082813   
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))
BDBM50082813
PNG
(4-(3,4-Difluoro-phenyl)-3-{[2-(4-methoxycarbonyl-4...)
Show SMILES COC(=O)C1C(N(CC(=O)NCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H34F2N4O6/c1-19-25(27(38)41-2)26(20-9-10-22(31)23(32)17-20)36(29(40)34-19)18-24(37)33-13-16-35-14-11-30(12-15-35,28(39)42-3)21-7-5-4-6-8-21/h4-10,17,25-26H,11-16,18H2,1-3H3,(H,33,37)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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: 4778-93 (1999)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50082813
PNG
(4-(3,4-Difluoro-phenyl)-3-{[2-(4-methoxycarbonyl-4...)
Show SMILES COC(=O)C1C(N(CC(=O)NCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H34F2N4O6/c1-19-25(27(38)41-2)26(20-9-10-22(31)23(32)17-20)36(29(40)34-19)18-24(37)33-13-16-35-14-11-30(12-15-35,28(39)42-3)21-7-5-4-6-8-21/h4-10,17,25-26H,11-16,18H2,1-3H3,(H,33,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
610n/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: 4778-93 (1999)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50082813
PNG
(4-(3,4-Difluoro-phenyl)-3-{[2-(4-methoxycarbonyl-4...)
Show SMILES COC(=O)C1C(N(CC(=O)NCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H34F2N4O6/c1-19-25(27(38)41-2)26(20-9-10-22(31)23(32)17-20)36(29(40)34-19)18-24(37)33-13-16-35-14-11-30(12-15-35,28(39)42-3)21-7-5-4-6-8-21/h4-10,17,25-26H,11-16,18H2,1-3H3,(H,33,37)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.05E+3n/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: 4778-93 (1999)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair