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BDBM48499 MLS000567238::N-[2-(1H-benzimidazol-2-yl)-5-methyl-3-pyrazolyl]-2-chloro-6-fluorobenzamide::N-[2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl]-2-chloranyl-6-fluoranyl-benzamide::N-[2-(1H-benzimidazol-2-yl)-5-methyl-pyrazol-3-yl]-2-chloro-6-fluoro-benzamide::N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-chloro-6-fluorobenzamide::SMR000153977::cid_3363185

SMILES: Cc1cc(NC(=O)c2c(F)cccc2Cl)n(n1)-c1nc2ccccc2[nH]1

InChI Key: InChIKey=GSJAVDQBOSAGQM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 48499   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48499
PNG
(MLS000567238 | N-[2-(1H-benzimidazol-2-yl)-5-methy...)
Show SMILES Cc1cc(NC(=O)c2c(F)cccc2Cl)n(n1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H13ClFN5O/c1-10-9-15(23-17(26)16-11(19)5-4-6-12(16)20)25(24-10)18-21-13-7-2-3-8-14(13)22-18/h2-9H,1H3,(H,21,22)(H,23,26)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM48499
PNG
(MLS000567238 | N-[2-(1H-benzimidazol-2-yl)-5-methy...)
Show SMILES Cc1cc(NC(=O)c2c(F)cccc2Cl)n(n1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H13ClFN5O/c1-10-9-15(23-17(26)16-11(19)5-4-6-12(16)20)25(24-10)18-21-13-7-2-3-8-14(13)22-18/h2-9H,1H3,(H,21,22)(H,23,26)
PDB

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem
n/an/a 7.72E+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) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2930RT9
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM48499
PNG
(MLS000567238 | N-[2-(1H-benzimidazol-2-yl)-5-methy...)
Show SMILES Cc1cc(NC(=O)c2c(F)cccc2Cl)n(n1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H13ClFN5O/c1-10-9-15(23-17(26)16-11(19)5-4-6-12(16)20)25(24-10)18-21-13-7-2-3-8-14(13)22-18/h2-9H,1H3,(H,21,22)(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 6.95E+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 (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DV1HJQ
More data for this
Ligand-Target Pair