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BDBM41012 1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzimidazole::1-[4-(2-phenyl-4-pyrimidinyl)phenyl]benzimidazole::1-[4-(2-phenylpyrimidin-4-yl)phenyl]benzimidazole::MLS000541324::SMR000126182::cid_1477791

SMILES: c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1

InChI Key: InChIKey=YVYVJGXSDFOSEC-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 41012   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41012
PNG
(1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4/c1-2-6-18(7-3-1)23-24-15-14-20(26-23)17-10-12-19(13-11-17)27-16-25-21-8-4-5-9-22(21)27/h1-16H
PDB
MMDB

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n/an/a 3.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41012
PNG
(1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4/c1-2-6-18(7-3-1)23-24-15-14-20(26-23)17-10-12-19(13-11-17)27-16-25-21-8-4-5-9-22(21)27/h1-16H
PDB

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antibodypedia
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n/an/a 2.64E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM41012
PNG
(1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4/c1-2-6-18(7-3-1)23-24-15-14-20(26-23)17-10-12-19(13-11-17)27-16-25-21-8-4-5-9-22(21)27/h1-16H
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n/an/a 1.47E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM41012
PNG
(1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4/c1-2-6-18(7-3-1)23-24-15-14-20(26-23)17-10-12-19(13-11-17)27-16-25-21-8-4-5-9-22(21)27/h1-16H
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n/an/a 2.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM41012
PNG
(1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4/c1-2-6-18(7-3-1)23-24-15-14-20(26-23)17-10-12-19(13-11-17)27-16-25-21-8-4-5-9-22(21)27/h1-16H
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PCBioAssay
n/an/a 5.45E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM41012
PNG
(1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4/c1-2-6-18(7-3-1)23-24-15-14-20(26-23)17-10-12-19(13-11-17)27-16-25-21-8-4-5-9-22(21)27/h1-16H
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KEGG

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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair