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4 similar compounds to monomer 50218602

Compile data set for download or QSAR
Wt: 272.3
BDBM50218598
Wt: 504.5
BDBM50218613
Wt: 412.2
BDBM50218587
Wt: 333.8
BDBM50218571

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50218598,50218613,50218587,50218571   
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
Oxytocin receptor


(HEK293)
BDBM50218613
PNG
(CHEMBL24816)
Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C31H28N4O3/c1-21(36)33-30-31(38)35(27-17-8-7-16-26(27)29(34-30)24-11-3-2-4-12-24)20-28(37)32-19-18-23-14-9-13-22-10-5-6-15-25(22)23/h2-17,30H,18-20H2,1H3,(H,32,37)(H,33,36)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218587
PNG
(CHEMBL312322)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Oc3ccccc3)c2c1
Show InChI InChI=1S/C21H15Cl2N3O2/c1-27-14-7-8-15-16(9-14)21(28-13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3
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436n/an/an/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4


Bioorg Med Chem Lett 11: 33-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00587-4
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218587
PNG
(CHEMBL312322)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Oc3ccccc3)c2c1
Show InChI InChI=1S/C21H15Cl2N3O2/c1-27-14-7-8-15-16(9-14)21(28-13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3
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n/an/a 132n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 4.


Bioorg Med Chem Lett 13: 2473-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00493-1
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50218598
PNG
(CHEMBL117482)
Show SMILES CCN(CC)C(=O)c1ccccc1NCc1c[nH]cn1
Show InChI InChI=1S/C15H20N4O/c1-3-19(4-2)15(20)13-7-5-6-8-14(13)17-10-12-9-16-11-18-12/h5-9,11,17H,3-4,10H2,1-2H3,(H,16,18)
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50218598
PNG
(CHEMBL117482)
Show SMILES CCN(CC)C(=O)c1ccccc1NCc1c[nH]cn1
Show InChI InChI=1S/C15H20N4O/c1-3-19(4-2)15(20)13-7-5-6-8-14(13)17-10-12-9-16-11-18-12/h5-9,11,17H,3-4,10H2,1-2H3,(H,16,18)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218587
PNG
(CHEMBL312322)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Oc3ccccc3)c2c1
Show InChI InChI=1S/C21H15Cl2N3O2/c1-27-14-7-8-15-16(9-14)21(28-13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3
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n/an/a 132n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against phosphodiesterase 4.


Bioorg Med Chem Lett 13: 2473-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00493-1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50218571
PNG
(CHEMBL541100)
Show SMILES Cl.CC(C)(CN1CCOCC1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2.ClH/c1-19(2,14-20-9-11-22-12-10-20)18(21)17-8-7-15-5-3-4-6-16(15)13-17;/h3-8,13H,9-12,14H2,1-2H3;1H
PDB

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n/an/a<1.00E+12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of Janus kinase 3.


Bioorg Med Chem Lett 10: 575-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00051-2
BindingDB Entry DOI: 10.7270/Q24T6KNZ
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218587
PNG
(CHEMBL312322)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Oc3ccccc3)c2c1
Show InChI InChI=1S/C21H15Cl2N3O2/c1-27-14-7-8-15-16(9-14)21(28-13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3
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n/an/a 132n/an/an/an/an/an/a



Zambon Group

Curated by ChEMBL


Assay Description
Inhibition of alphaM-beta2 mediated cell adhesion


Bioorg Med Chem Lett 11: 33-7 (2001)


Article DOI: 10.1016/s0960-894x(00)00587-4
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50218598
PNG
(CHEMBL117482)
Show SMILES CCN(CC)C(=O)c1ccccc1NCc1c[nH]cn1
Show InChI InChI=1S/C15H20N4O/c1-3-19(4-2)15(20)13-7-5-6-8-14(13)17-10-12-9-16-11-18-12/h5-9,11,17H,3-4,10H2,1-2H3,(H,16,18)
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human Alpha-1D adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair