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10 similar compounds to monomer 50014777

Compile data set for download or QSAR
Wt: 270.2
BDBM50014797
Wt: 268.7
BDBM50014808
Wt: 303.1
BDBM50014756
Wt: 392.0
BDBM50014773
Wt: 234.2
BDBM50014788
Purchase
Wt: 284.3
BDBM50047260
Wt: 310.3
BDBM50128548
Purchase
Wt: 386.4
BDBM50272562
Wt: 248.3
BDBM50272506
Wt: 310.3
BDBM50335342
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50014797,50014808,50014756,50014773,50014788,50047260,50128548,50272562,50272506,50335342   
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
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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PubMed
56.5n/an/an/an/an/an/an/an/a



Accelrys

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 17A1 activity


J Med Chem 46: 2345-51 (2003)


Article DOI: 10.1021/jm020576u
BindingDB Entry DOI: 10.7270/Q2WD41B7
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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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 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
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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US Patent
n/an/a 800n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay Description
Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...


US Patent US9144538 (2015)


BindingDB Entry DOI: 10.7270/Q22806DV
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50047260
PNG
(4,4'-((1H-imidazol-1-yl)methylene)dibenzonitrile |...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C18H12N4/c19-11-14-1-5-16(6-2-14)18(22-10-9-21-13-22)17-7-3-15(12-20)4-8-17/h1-10,13,18H
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n/an/a 3.5n/an/an/an/an/an/a



CIBA-GEIGY Ltd

Curated by ChEMBL


Assay Description
In vitro inhibition of human placental Cytochrome P450 19A1


J Med Chem 36: 1393-400 (1993)


Article DOI: 10.1021/jm00062a012
BindingDB Entry DOI: 10.7270/Q2ZK5FR9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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n/an/a 2.30E+4n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50272562
PNG
(1-(Bis-biphenyl-4-yl-methyl)-1H-imidazole | CHEMBL...)
Show SMILES c1cn(cn1)C(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H22N2/c1-3-7-22(8-4-1)24-11-15-26(16-12-24)28(30-20-19-29-21-30)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21,28H
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n/an/a 2.30E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochrome P450 reductase


Bioorg Med Chem 16: 7715-27 (2008)


Article DOI: 10.1016/j.bmc.2008.07.011
BindingDB Entry DOI: 10.7270/Q2222TK7
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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n/an/a 790n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochrome P450 reductase


Bioorg Med Chem 16: 7715-27 (2008)


Article DOI: 10.1016/j.bmc.2008.07.011
BindingDB Entry DOI: 10.7270/Q2222TK7
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50272506
PNG
(1-(1-Biphenyl-4-yl-ethyl)-1H-imidazole | CHEMBL497...)
Show SMILES CC(c1ccc(cc1)-c1ccccc1)n1ccnc1
Show InChI InChI=1S/C17H16N2/c1-14(19-12-11-18-13-19)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-14H,1H3
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n/an/a 910n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochrome P450 reductase


Bioorg Med Chem 16: 7715-27 (2008)


Article DOI: 10.1016/j.bmc.2008.07.011
BindingDB Entry DOI: 10.7270/Q2222TK7
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335342
PNG
(1-Trityl-1H-imidazole | CHEMBL1651507)
Show SMILES c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50335342
PNG
(1-Trityl-1H-imidazole | CHEMBL1651507)
Show SMILES c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50047260
PNG
(4,4'-((1H-imidazol-1-yl)methylene)dibenzonitrile |...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C18H12N4/c19-11-14-1-5-16(6-2-14)18(22-10-9-21-13-22)17-7-3-15(12-20)4-8-17/h1-10,13,18H
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n/an/a 4n/an/an/an/an/an/a



Universit£ de Moncton

Curated by ChEMBL


Assay Description
Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate after 30 mins by fluorescence-based colorimetric analysis


Eur J Med Chem 46: 4010-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.074
BindingDB Entry DOI: 10.7270/Q2C24WTR
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50014788
PNG
(1-Benzhydryl-1H-imidazole | CHEMBL336638)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-3-7-14(8-4-1)16(18-12-11-17-13-18)15-9-5-2-6-10-15/h1-13,16H
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n/an/a 20n/an/an/an/an/an/a



Universit£ de Moncton

Curated by ChEMBL


Assay Description
Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate after 30 mins by fluorescence-based colorimetric analysis


Eur J Med Chem 46: 4010-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.074
BindingDB Entry DOI: 10.7270/Q2C24WTR
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014756
PNG
(1-[Bis-(4-chloro-phenyl)-methyl]-1H-imidazole | CH...)
Show SMILES Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1ccnc1
Show InChI InChI=1S/C16H12Cl2N2/c17-14-5-1-12(2-6-14)16(20-10-9-19-11-20)13-3-7-15(18)8-4-13/h1-11,16H
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n/an/an/an/a 42n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014773
PNG
(1-[Bis-(4-bromo-phenyl)-methyl]-1H-imidazole | CHE...)
Show SMILES Brc1ccc(cc1)C(c1ccc(Br)cc1)n1ccnc1
Show InChI InChI=1S/C16H12Br2N2/c17-14-5-1-12(2-6-14)16(20-10-9-19-11-20)13-3-7-15(18)8-4-13/h1-11,16H
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n/an/an/an/a 8.90n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014788
PNG
(1-Benzhydryl-1H-imidazole | CHEMBL336638)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-3-7-14(8-4-1)16(18-12-11-17-13-18)15-9-5-2-6-10-15/h1-13,16H
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n/an/an/an/a 125n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014797
PNG
(1-[Bis-(4-fluoro-phenyl)-methyl]-1H-imidazole | CH...)
Show SMILES Fc1ccc(cc1)C(c1ccc(F)cc1)n1ccnc1
Show InChI InChI=1S/C16H12F2N2/c17-14-5-1-12(2-6-14)16(20-10-9-19-11-20)13-3-7-15(18)8-4-13/h1-11,16H
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n/an/an/an/a 40n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014808
PNG
(1-[(4-Chloro-phenyl)-phenyl-methyl]-1H-imidazole |...)
Show SMILES Clc1ccc(cc1)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C16H13ClN2/c17-15-8-6-14(7-9-15)16(19-11-10-18-12-19)13-4-2-1-3-5-13/h1-12,16H
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n/an/an/an/a 20n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50047260
PNG
(4,4'-((1H-imidazol-1-yl)methylene)dibenzonitrile |...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1ccnc1
Show InChI InChI=1S/C18H12N4/c19-11-14-1-5-16(6-2-14)18(22-10-9-21-13-22)17-7-3-15(12-20)4-8-17/h1-10,13,18H
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n/an/a 3n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19


Bioorg Med Chem Lett 20: 3050-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.113
BindingDB Entry DOI: 10.7270/Q2CJ8FFS
More data for this
Ligand-Target Pair
Sterol 14α-demethylase (CYP51)


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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n/an/a 342n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay


Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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n/an/a 2.71E+4n/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
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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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
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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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
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
PDB
MMDB

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n/an/a 8.50E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
PDB
MMDB

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PCBioAssay
n/an/a 8.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi501197t
BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair