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5 similar compounds to monomer 50232177

Compile data set for download or QSAR
Wt: 294.3
BDBM50232200
Wt: 340.4
BDBM50232217
Wt: 382.4
BDBM50232219
Wt: 431.9
BDBM50232191
Wt: 356.8
BDBM50232178

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50232200,50232217,50232219,50232191,50232178   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50232178
PNG
(CHEMBL4081285)
Show SMILES CCC(CC)Nc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1C
Show InChI InChI=1S/C20H25ClN4/c1-6-16(7-2)23-18-11-13(4)22-20-19(14(5)24-25(18)20)17-9-8-15(21)10-12(17)3/h8-11,16,23H,6-7H2,1-5H3
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1.70n/an/an/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr0]-CRF from recombinant human CRF1 receptor


Eur J Med Chem 126: 298-352 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.019
More data for this
Ligand-Target Pair
Benzodiazepine receptors; peripheral & central


(Rattus norvegicus (rat))
BDBM50232191
PNG
(CHEMBL4089611)
Show SMILES CCC(CC)C(=O)Cc1c(nn2c(cc(C)nc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-23(15-17(3)28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3
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2.40n/an/an/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting


Eur J Med Chem 126: 298-352 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.019
More data for this
Ligand-Target Pair
Benzodiazepine receptors; peripheral & central


(Rattus norvegicus (rat))
BDBM50232191
PNG
(CHEMBL4089611)
Show SMILES CCC(CC)C(=O)Cc1c(nn2c(cc(C)nc12)-c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN3O/c1-4-18(5-2)24(31)16-22-25(20-11-13-21(27)14-12-20)29-30-23(15-17(3)28-26(22)30)19-9-7-6-8-10-19/h6-15,18H,4-5,16H2,1-3H3
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2.5n/an/an/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro5-4864 from PBZR in rat kidney mitochondrial membranes measured after 90 mins by liquid scintillation counting


Eur J Med Chem 126: 298-352 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.019
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50232200
PNG
(CHEMBL4081736)
Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,17H
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7n/an/an/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Displacement of [3H]RO15-1788 from recombinant rat GABAalpha1 receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 126: 298-352 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.019
More data for this
Ligand-Target Pair
GABA A receptor alpha-5/beta-3/gamma-2


(RAT)
BDBM50232200
PNG
(CHEMBL4081736)
Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,17H
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740n/an/an/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 126: 298-352 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.019
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50232200
PNG
(CHEMBL4081736)
Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,17H
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927n/an/an/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Displacement of [3H]RO15-1788 from recombinant rat GABAalpha2 receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 126: 298-352 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.019
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232219
PNG
(CHEMBL4103604)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCN(C)C
Show InChI InChI=1S/C23H30N2O3/c1-25(2)16-8-5-9-17-28-21-14-12-19(18-22(21)27-3)13-15-23(26)24-20-10-6-4-7-11-20/h4,6-7,10-15,18H,5,8-9,16-17H2,1-3H3,(H,24,26)/b15-13+
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n/an/a 12n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232217
PNG
(CHEMBL4093408)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCN(C)C
Show InChI InChI=1S/C20H24N2O3/c1-22(2)13-14-25-18-11-9-16(15-19(18)24-3)10-12-20(23)21-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,21,23)/b12-10+
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n/an/a 23n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232219
PNG
(CHEMBL4103604)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCN(C)C
Show InChI InChI=1S/C23H30N2O3/c1-25(2)16-8-5-9-17-28-21-14-12-19(18-22(21)27-3)13-15-23(26)24-20-10-6-4-7-11-20/h4,6-7,10-15,18H,5,8-9,16-17H2,1-3H3,(H,24,26)/b15-13+
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n/an/a 33n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(Homo sapiens (Human))
BDBM50232217
PNG
(CHEMBL4093408)
Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCN(C)C
Show InChI InChI=1S/C20H24N2O3/c1-22(2)13-14-25-18-11-9-16(15-19(18)24-3)10-12-20(23)21-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,21,23)/b12-10+
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n/an/a 23n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method


Eur J Med Chem 126: 810-822 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.003
More data for this
Ligand-Target Pair