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BDBM62334 1-[(4-chlorophenyl)methyl]-2-benzimidazolamine::1-[(4-chlorophenyl)methyl]benzimidazol-2-amine::MLS-0425658.0001::[1-(4-chlorobenzyl)benzimidazol-2-yl]amine::cid_743900

SMILES: Nc1nc2ccccc2n1Cc1ccc(Cl)cc1

InChI Key: InChIKey=HKBJSDNECZUKSR-UHFFFAOYSA-N

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 62334   
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
Interleukin-8


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
PDB
MMDB

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n/an/a 4.59E+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 (2010)


BindingDB Entry DOI: 10.7270/Q28C9TP6
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 1.98E+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/Q24M930Q
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 1.21E+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/Q20Z71QR
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 7.73E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2Z899VD
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 9.50E+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 (2010)


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


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 1.18E+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
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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PubMed
n/an/a 1.19E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter ...


ACS Med Chem Lett 2: 780-785 (2011)


Article DOI: 10.1021/ml200158b
BindingDB Entry DOI: 10.7270/Q2H9966Z
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a>2.00E+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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 8.92E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TDC
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
PDB
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Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD1 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


J Med Chem 57: 6897-918 (2014)


Article DOI: 10.1021/jm401841p
BindingDB Entry DOI: 10.7270/Q2PV6N0K
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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PubMed
n/an/a 1.19E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay


J Med Chem 57: 6897-918 (2014)


Article DOI: 10.1021/jm401841p
BindingDB Entry DOI: 10.7270/Q2PV6N0K
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by...


ACS Med Chem Lett 2: 780-785 (2011)


Article DOI: 10.1021/ml200158b
BindingDB Entry DOI: 10.7270/Q2H9966Z
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2


(Homo sapiens (Human))
BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 1.17E+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