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5 similar compounds to monomer 50220742

Compile data set for download or QSAR
Wt: 432.4
BDBM50220748
Wt: 462.4
BDBM50220747
Wt: 458.4
BDBM50220750
Wt: 314.3
BDBM50220736
Wt: 437.5
BDBM50220737

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50220748,50220747,50220750,50220736,50220737   
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))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C23H25F3N4O3/c24-23(25,26)16-33-20-9-4-3-8-19(20)29-14-12-28(13-15-29)10-5-11-30-21(31)17-6-1-2-7-18(17)27-22(30)32/h1-4,6-9H,5,10-16H2,(H,27,32)
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0.0631n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220750
PNG
(CHEMBL55695)
Show SMILES Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C21H26F4N4O3/c1-15-13-26-20(31)29(19(15)30)7-3-2-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)
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0.158n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50220748
PNG
(CHEMBL59153)
Show SMILES Fc1ccc(N2CCN(CCCN3C(=O)CCNC3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H24F4N4O3/c20-14-2-3-15(16(12-14)30-13-19(21,22)23)26-10-8-25(9-11-26)6-1-7-27-17(28)4-5-24-18(27)29/h2-3,12H,1,4-11,13H2,(H,24,29)
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1n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C23H25F3N4O3/c24-23(25,26)16-33-20-9-4-3-8-19(20)29-14-12-28(13-15-29)10-5-11-30-21(31)17-6-1-2-7-18(17)27-22(30)32/h1-4,6-9H,5,10-16H2,(H,27,32)
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2n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220747
PNG
(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C23H25F3N4O3/c24-23(25,26)16-33-20-9-4-3-8-19(20)29-14-12-28(13-15-29)10-5-11-30-21(31)17-6-1-2-7-18(17)27-22(30)32/h1-4,6-9H,5,10-16H2,(H,27,32)
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5n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220750
PNG
(CHEMBL55695)
Show SMILES Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C21H26F4N4O3/c1-15-13-26-20(31)29(19(15)30)7-3-2-6-27-8-10-28(11-9-27)17-5-4-16(22)12-18(17)32-14-21(23,24)25/h4-5,12-13H,2-3,6-11,14H2,1H3,(H,26,31)
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10n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220748
PNG
(CHEMBL59153)
Show SMILES Fc1ccc(N2CCN(CCCN3C(=O)CCNC3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H24F4N4O3/c20-14-2-3-15(16(12-14)30-13-19(21,22)23)26-10-8-25(9-11-26)6-1-7-27-17(28)4-5-24-18(27)29/h2-3,12H,1,4-11,13H2,(H,24,29)
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32n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50220748
PNG
(CHEMBL59153)
Show SMILES Fc1ccc(N2CCN(CCCN3C(=O)CCNC3=O)CC2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C19H24F4N4O3/c20-14-2-3-15(16(12-14)30-13-19(21,22)23)26-10-8-25(9-11-26)6-1-7-27-17(28)4-5-24-18(27)29/h2-3,12H,1,4-11,13H2,(H,24,29)
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126n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 13: 1873-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00305-6
More data for this
Ligand-Target Pair
Tryptase


(Homo sapiens (Human))
BDBM50220737
PNG
(CHEMBL308109)
Show SMILES CC(C)(C)CNC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCNCC2)C1=O)C(O)=O
Show InChI InChI=1S/C21H35N5O5/c1-21(2,3)13-23-19(30)24-8-10-25(11-9-24)20(31)26-16(18(28)29)15(17(26)27)12-14-4-6-22-7-5-14/h14-16,22H,4-13H2,1-3H3,(H,23,30)(H,28,29)/t15-,16+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human tryptase was determined


Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM50220736
PNG
(CHALEPIN | Chalepin)
Show SMILES CC(C)(O)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C
Show InChI InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Universidade Federal de Minas Gerais

Curated by ChEMBL


Assay Description
Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was determined as log 1/IC50


Bioorg Med Chem Lett 14: 2199-204 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.025
BindingDB Entry DOI: 10.7270/Q20K2810
More data for this
Ligand-Target Pair