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6 similar compounds to monomer 50179360

Compile data set for download or QSAR
Wt: 216.2
BDBM50179393
Wt: 300.3
BDBM50179405
Wt: 338.3
BDBM50179382
Wt: 235.2
BDBM50179355
Wt: 313.2
BDBM50179376
Wt: 284.3
BDBM50179387

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50179393,50179405,50179382,50179355,50179376,50179387   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179393
PNG
(EFAROXAN | Efaroxan)
Show SMILES CCC1(Cc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-6H,2,7-9H2,1H3,(H,14,15)
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4.40n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50179393
PNG
(EFAROXAN | Efaroxan)
Show SMILES CCC1(Cc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-6H,2,7-9H2,1H3,(H,14,15)
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX 821002 from Alpha-2 adrenergic receptors of rabbit white fat cell membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Nischarin


(Homo sapiens (Human))
BDBM50179393
PNG
(EFAROXAN | Efaroxan)
Show SMILES CCC1(Cc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-6H,2,7-9H2,1H3,(H,14,15)
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72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheochromocytoma cells


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179376
PNG
(CHEMBL3814245)
Show SMILES [O-][N+](=O)c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
Show InChI InChI=1S/C14H7N3O4S/c18-13-11(7-8-5-6-12(21-8)17(19)20)22-14-15-9-3-1-2-4-10(9)16(13)14/h1-7H/b11-7-
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1.07E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition an...


Bioorg Med Chem 24: 3157-65 (2016)


Article DOI: 10.1016/j.bmc.2016.05.046
BindingDB Entry DOI: 10.7270/Q2SQ928T
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179387
PNG
(CHEMBL3814276)
Show SMILES CC(C)CCn1c(C)cc(NCc2ccccc2)cc1=O
Show InChI InChI=1S/C18H24N2O/c1-14(2)9-10-20-15(3)11-17(12-18(20)21)19-13-16-7-5-4-6-8-16/h4-8,11-12,14,19H,9-10,13H2,1-3H3
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2.70E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50179382
PNG
(CHEMBL3814535)
Show SMILES CC(C)Cn1c(C)cc(NCc2ccc(cc2)C(F)(F)F)cc1=O
Show InChI InChI=1S/C18H21F3N2O/c1-12(2)11-23-13(3)8-16(9-17(23)24)22-10-14-4-6-15(7-5-14)18(19,20)21/h4-9,12,22H,10-11H2,1-3H3
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5.80E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50179355
PNG
(CHEMBL3814999)
Show SMILES OC(=O)c1ccc(cc1)\N=N\N1CCOCC1
Show InChI InChI=1S/C11H13N3O3/c15-11(16)9-1-3-10(4-2-9)12-13-14-5-7-17-8-6-14/h1-4H,5-8H2,(H,15,16)/b13-12+
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n/an/a 1.67E+5n/an/an/an/an/an/a



Whittier College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...


Bioorg Med Chem Lett 26: 3243-3247 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.064
BindingDB Entry DOI: 10.7270/Q2XG9T1M
More data for this
Ligand-Target Pair
Peptide deformylase


(Escherichia coli)
BDBM50179405
PNG
(CHEMBL3814751)
Show SMILES Oc1ccc(NCc2ccc(cc2)-c2ccccc2C#N)cc1
Show InChI InChI=1S/C20H16N2O/c21-13-17-3-1-2-4-20(17)16-7-5-15(6-8-16)14-22-18-9-11-19(23)12-10-18/h1-12,22-23H,14H2
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n/an/a 3.46E+4n/an/an/an/an/an/a



Y.B. Chavan College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of NiCl2 stabilized Escherichia coli NCIM-2931 peptide deformylase using N-formyl-Met-Ala as substrate incubated for 30 mins by spectropho...


Bioorg Med Chem 24: 3456-63 (2016)


Article DOI: 10.1016/j.bmc.2016.05.051
BindingDB Entry DOI: 10.7270/Q2J67JV4
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50179355
PNG
(CHEMBL3814999)
Show SMILES OC(=O)c1ccc(cc1)\N=N\N1CCOCC1
Show InChI InChI=1S/C11H13N3O3/c15-11(16)9-1-3-10(4-2-9)12-13-14-5-7-17-8-6-14/h1-4H,5-8H2,(H,15,16)/b13-12+
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MMDB

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n/an/a 4.00E+5n/an/an/an/an/an/a



Whittier College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...


Bioorg Med Chem Lett 26: 3243-3247 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.064
BindingDB Entry DOI: 10.7270/Q2XG9T1M
More data for this
Ligand-Target Pair