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BDBM32877 (5E)-1-(2-chlorobenzyl)-5-[(1-methylpyrrol-2-yl)methylene]barbituric acid::(5E)-1-[(2-chlorophenyl)methyl]-5-[(1-methyl-2-pyrrolyl)methylidene]-1,3-diazinane-2,4,6-trione::(5E)-1-[(2-chlorophenyl)methyl]-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione::1-(2-chlorobenzyl)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione::MLS000675880::SMR000292051::cid_2186482

SMILES: Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O

InChI Key: InChIKey=OCLFLRLSJRUZLN-UKTHLTGXSA-N

Data: 2 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 2 hits for monomerid = 32877   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM32877
PNG
((5E)-1-(2-chlorobenzyl)-5-[(1-methylpyrrol-2-yl)me...)
Show SMILES Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O
Show InChI InChI=1S/C17H14ClN3O3/c1-20-8-4-6-12(20)9-13-15(22)19-17(24)21(16(13)23)10-11-5-2-3-7-14(11)18/h2-9H,10H2,1H3,(H,19,22,24)/b13-9+
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 978n/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/Q2348HSG
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM32877
PNG
((5E)-1-(2-chlorobenzyl)-5-[(1-methylpyrrol-2-yl)me...)
Show SMILES Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O
Show InChI InChI=1S/C17H14ClN3O3/c1-20-8-4-6-12(20)9-13-15(22)19-17(24)21(16(13)23)10-11-5-2-3-7-14(11)18/h2-9H,10H2,1H3,(H,19,22,24)/b13-9+
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair