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5 similar compounds to monomer 50220750

Compile data set for download or QSAR
Wt: 376.3
BDBM50189877
Wt: 472.4
BDBM50220742
Wt: 427.4
BDBM50220744
Wt: 440.4
BDBM50220746
Wt: 314.3
BDBM50220736

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50189877,50220742,50220744,50220746,50220736   
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))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30)
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0.0398n/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))
BDBM50220744
PNG
(CHEMBL55290)
Show SMILES Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C19H24F3N5O3/c1-14-17(28)27(18(29)24-23-14)8-4-7-25-9-11-26(12-10-25)15-5-2-3-6-16(15)30-13-19(20,21)22/h2-3,5-6H,4,7-13H2,1H3,(H,24,29)
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0.316n/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))
BDBM50220742
PNG
(CHEMBL57740)
Show SMILES CC(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C22H28F4N4O3/c1-15(2)17-13-27-21(32)30(20(17)31)7-3-6-28-8-10-29(11-9-28)18-5-4-16(23)12-19(18)33-14-22(24,25)26/h4-5,12-13,15H,3,6-11,14H2,1-2H3,(H,27,32)
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2.5n/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-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))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30)
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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-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
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50220744
PNG
(CHEMBL55290)
Show SMILES Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C19H24F3N5O3/c1-14-17(28)27(18(29)24-23-14)8-4-7-25-9-11-26(12-10-25)15-5-2-3-6-16(15)30-13-19(20,21)22/h2-3,5-6H,4,7-13H2,1H3,(H,24,29)
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7.90n/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))
BDBM50220746
PNG
(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30)
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16n/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))
BDBM50220744
PNG
(CHEMBL55290)
Show SMILES Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C19H24F3N5O3/c1-14-17(28)27(18(29)24-23-14)8-4-7-25-9-11-26(12-10-25)15-5-2-3-6-16(15)30-13-19(20,21)22/h2-3,5-6H,4,7-13H2,1H3,(H,24,29)
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40n/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))
BDBM50220742
PNG
(CHEMBL57740)
Show SMILES CC(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
Show InChI InChI=1S/C22H28F4N4O3/c1-15(2)17-13-27-21(32)30(20(17)31)7-3-6-28-8-10-29(11-9-28)18-5-4-16(23)12-19(18)33-14-22(24,25)26/h4-5,12-13,15H,3,6-11,14H2,1-2H3,(H,27,32)
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100n/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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50189877
PNG
(CHEMBL3828618)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1Cc1ccccc1
Show InChI InChI=1S/C22H16O6/c23-14-8-18(26)22-19(27)11-20(28-21(22)9-14)15-10-17(25)16(24)7-13(15)6-12-4-2-1-3-5-12/h1-5,7-11,23-26H,6H2
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4.60E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-2 (unknown origin) using FAM-Bid peptide as substrate by fluorescence polarization-based assay


Bioorg Med Chem Lett 26: 3464-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.043
BindingDB Entry DOI: 10.7270/Q20K2BH3
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50189877
PNG
(CHEMBL3828618)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1Cc1ccccc1
Show InChI InChI=1S/C22H16O6/c23-14-8-18(26)22-19(27)11-20(28-21(22)9-14)15-10-17(25)16(24)7-13(15)6-12-4-2-1-3-5-12/h1-5,7-11,23-26H,6H2
PDB
MMDB

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8.40E+3n/an/an/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of Bcl-XL (unknown origin) using FAM-Bid peptide as substrate by fluorescence polarization-based assay


Bioorg Med Chem Lett 26: 3464-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.043
BindingDB Entry DOI: 10.7270/Q20K2BH3
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