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4 similar compounds to monomer 50019213

Compile data set for download or QSAR
Wt: 281.2
BDBM50020856
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Wt: 285.7
BDBM50408036
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Wt: 329.7
BDBM50408037
Wt: 329.7
BDBM50408040
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50020856,50408036,50408037,50408040   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Brain Res 304: 1-7 (1984)


Article DOI: 10.1016/0006-8993(84)90856-4
BindingDB Entry DOI: 10.7270/Q21N7ZMS
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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>2.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay


Bioorg Med Chem Lett 22: 5811-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.091
BindingDB Entry DOI: 10.7270/Q2222VV7
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408036
PNG
(7-Aminoclonazepam | CHEMBL1273 | Ro-05-4619)
Show SMILES Nc1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
Show InChI InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)
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n/an/a 7.50E+10n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408037
PNG
(CHEMBL149268)
Show SMILES C[C@H]1N=C(c2ccccc2Cl)c2cc(ccc2NC1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)/t9-/m1/s1
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n/an/a 1.20E+9n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408040
PNG
(RO-054082 | Ro-05-4082)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C16H12ClN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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n/an/a 2.20E+9n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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Article
PubMed
n/an/a 1.00E+10n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay


Bioorg Med Chem Lett 22: 5811-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.091
BindingDB Entry DOI: 10.7270/Q2222VV7
More data for this
Ligand-Target Pair