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5 similar compounds to monomer 62334

Compile data set for download or QSAR
Wt: 292.1
BDBM31798
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Wt: 326.6
BDBM31799
Wt: 257.7
BDBM62374
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Wt: 326.6
BDBM50063941
Wt: 242.7
BDBM50335358
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 31798,31799,62374,50063941,50335358   
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
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31798
PNG
(2-aminobenzimidazole deriv., 9)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
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Article
PubMed
400 -8.66n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31799
PNG
(2-aminobenzimidazole deriv., 10)
Show SMILES Nc1nc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl3N3/c15-9-5-4-8(6-11(9)17)7-20-13-10(16)2-1-3-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
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Article
PubMed
510 -8.52n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62374
PNG
(1-[(2-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C14H12ClN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 1.25E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063941
PNG
(5,6-Dichloro-1-(4-chloro-benzyl)-1H-benzoimidazol-...)
Show SMILES Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H10Cl3N3/c15-9-3-1-8(2-4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase (RT) assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50335358
PNG
(1-(4-Chloro-benzyl)-1H-benzoimidazole | CHEMBL1444...)
Show SMILES Clc1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C14H11ClN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2
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n/an/a 107n/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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335358
PNG
(1-(4-Chloro-benzyl)-1H-benzoimidazole | CHEMBL1444...)
Show SMILES Clc1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C14H11ClN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2
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n/an/a 635n/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
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62374
PNG
(1-[(2-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C14H12ClN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 1.29E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM62374
PNG
(1-[(2-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccccc1Cl
Show InChI InChI=1S/C14H12ClN3/c15-11-6-2-1-5-10(11)9-18-13-8-4-3-7-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 1.53E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2TH8K43
More data for this
Ligand-Target Pair