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4 similar compounds to monomer 50121958

Compile data set for download or QSAR
Wt: 108.1
BDBM50008543
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Wt: 262.3
BDBM50131557
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Wt: 170.2
BDBM50149238
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Wt: 200.2
BDBM50376220
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50008543,50131557,50149238,50376220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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Article
PubMed
7.41E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Cecen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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1.23E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Cecen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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1.95E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Cecen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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8.50E+4n/an/an/an/an/an/an/an/a



Agri Ibrahim Cecen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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9.55E+12n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50376220
PNG
(CHEMBL258552)
Show SMILES COc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C13H12O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9,14H,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor beta


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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n/an/a 8.32E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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n/an/a 6.17E+9n/an/an/an/an/an/a



Leadscope, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity determined against Protein tyrosine phosphatase PTB1B


J Med Chem 46: 4770-5 (2003)


Article DOI: 10.1021/jm0302703
BindingDB Entry DOI: 10.7270/Q2HD7WV1
More data for this
Ligand-Target Pair
Bcl-xL/Bcl-2-binding component 3


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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n/an/an/a 6.00E+6n/an/an/an/an/a



Taros Chemicals GmbH & Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to BCL-XL (unknown origin) by 15N HSQC NMR analysis


Eur J Med Chem 167: 76-95 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.084
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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n/an/an/a>5.00E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation constant against VEGF (vascular endothelial growth factor) was determined.


J Med Chem 43: 3443-7 (2000)


Article DOI: 10.1021/jm000164q
BindingDB Entry DOI: 10.7270/Q2X068B2
More data for this
Ligand-Target Pair
Matrix metalloproteinase (2 and 3)


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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n/an/an/a 2.80E+5n/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Binding affinity to human MMP3 catalytic domain (81 to 256 residues) expressed in Escherichia coli BL21 (DE3) pLysS by 15N-HSQC-NMR spectroscopy


J Med Chem 63: 11420-11435 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50131557
PNG
(CHEMBL116918 | [1,1';4',1'']Terphenyl-4,4''-diol)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H14O2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12,19-20H
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n/an/an/an/a 1.20E+3n/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Transcriptional agonist activity in Chinese hamster ovary cells expressing human Estrogen Receptor alpha


J Med Chem 46: 3441-4 (2003)


Article DOI: 10.1021/jm034078c
BindingDB Entry DOI: 10.7270/Q2S46RB0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008543
PNG
(1-hydroxy-4-methylbenzene | 4-cresol | 4-methylphe...)
Show SMILES Cc1ccc(O)cc1
Show InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50008543
PNG
(1-hydroxy-4-methylbenzene | 4-cresol | 4-methylphe...)
Show SMILES Cc1ccc(O)cc1
Show InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
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n/an/a 1.80n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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n/an/an/a 2.80E+5n/an/an/an/an/a



Sunesis Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Dissociation constant for Matrix Metalloprotease-3 (MMP-3)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair