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BDBM49662 MLS000335562::N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide::N-(1H-benzimidazol-2-yl)-3-methyl-2-benzofurancarboxamide::N-(1H-benzimidazol-2-yl)-3-methyl-coumarilamide::SMR000253316::cid_2117785

SMILES: Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1

InChI Key: InChIKey=TYDFMELDUQFLME-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 49662   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49662
PNG
(MLS000335562 | N-(1H-benzimidazol-2-yl)-3-methyl-1...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H13N3O2/c1-10-11-6-2-5-9-14(11)22-15(10)16(21)20-17-18-12-7-3-4-8-13(12)19-17/h2-9H,1H3,(H2,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PCBioAssay
n/an/an/an/a 1.38E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM49662
PNG
(MLS000335562 | N-(1H-benzimidazol-2-yl)-3-methyl-1...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H13N3O2/c1-10-11-6-2-5-9-14(11)22-15(10)16(21)20-17-18-12-7-3-4-8-13(12)19-17/h2-9H,1H3,(H2,18,19,20,21)
PDB
MMDB

UniProtKB/SwissProt

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n/an/a>6.66E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM49662
PNG
(MLS000335562 | N-(1H-benzimidazol-2-yl)-3-methyl-1...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H13N3O2/c1-10-11-6-2-5-9-14(11)22-15(10)16(21)20-17-18-12-7-3-4-8-13(12)19-17/h2-9H,1H3,(H2,18,19,20,21)
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n/an/a 6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2736PK0
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49662
PNG
(MLS000335562 | N-(1H-benzimidazol-2-yl)-3-methyl-1...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H13N3O2/c1-10-11-6-2-5-9-14(11)22-15(10)16(21)20-17-18-12-7-3-4-8-13(12)19-17/h2-9H,1H3,(H2,18,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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n/an/a 6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D2C
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM49662
PNG
(MLS000335562 | N-(1H-benzimidazol-2-yl)-3-methyl-1...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H13N3O2/c1-10-11-6-2-5-9-14(11)22-15(10)16(21)20-17-18-12-7-3-4-8-13(12)19-17/h2-9H,1H3,(H2,18,19,20,21)
PDB

UniProtKB/SwissProt

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n/an/a 552n/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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair