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BDBM62225 (E)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1-(2-thienyl)prop-2-en-1-one::(E)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1-thiophen-2-yl-2-propen-1-one::(E)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1-thiophen-2-yl-prop-2-en-1-one::(E)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1-thiophen-2-ylprop-2-en-1-one::SR-01000671434::SR-01000671434-2::cid_6526694

SMILES: Clc1ccc(\C=C(\C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc1

InChI Key: InChIKey=SBPLXFJNSSUYKH-QINSGFPZSA-N

Data: 1 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 2 hits for monomerid = 62225   
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM62225
PNG
((E)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1-...)
Show SMILES Clc1ccc(\C=C(\C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C20H13ClN2OS/c21-14-9-7-13(8-10-14)12-15(19(24)18-6-3-11-25-18)20-22-16-4-1-2-5-17(16)23-20/h1-12H,(H,22,23)/b15-12-
PDB

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KEGG

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.26E+4n/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/Q22N50RJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM62225
PNG
((E)-2-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1-...)
Show SMILES Clc1ccc(\C=C(\C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C20H13ClN2OS/c21-14-9-7-13(8-10-14)12-15(19(24)18-6-3-11-25-18)20-22-16-4-1-2-5-17(16)23-20/h1-12H,(H,22,23)/b15-12-
NCI pathway
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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 738n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair