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2 similar compounds to monomer 44056

Compile data set for download or QSAR
Wt: 365.4
BDBM33798
Wt: 349.4
BDBM78233

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 33798,78233   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM33798
PNG
((4Z)-1-(4-methoxyphenyl)-4-(phenylimino)-1,3-diaza...)
Show SMILES COc1ccc(cc1)N1C(=S)N=C(Nc2ccccc2)C11CCCCC1
Show InChI InChI=1S/C21H23N3OS/c1-25-18-12-10-17(11-13-18)24-20(26)23-19(21(24)14-6-3-7-15-21)22-16-8-4-2-5-9-16/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,22,23,26)
PDB

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antibodypedia
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PC cid
PC sid
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Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM78233
PNG
(4-(2-methylanilino)-1-phenyl-1,3-diazaspiro[4.5]de...)
Show SMILES Cc1ccccc1NC1=NC(=S)N(c2ccccc2)C11CCCCC1
Show InChI InChI=1S/C21H23N3S/c1-16-10-6-7-13-18(16)22-19-21(14-8-3-9-15-21)24(20(25)23-19)17-11-4-2-5-12-17/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,22,23,25)
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KEGG

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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>5.30E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM78233
PNG
(4-(2-methylanilino)-1-phenyl-1,3-diazaspiro[4.5]de...)
Show SMILES Cc1ccccc1NC1=NC(=S)N(c2ccccc2)C11CCCCC1
Show InChI InChI=1S/C21H23N3S/c1-16-10-6-7-13-18(16)22-19-21(14-8-3-9-15-21)24(20(25)23-19)17-11-4-2-5-12-17/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,22,23,25)
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MMDB

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B.MOAD
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PC cid
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UniChem

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PCBioAssay
n/an/a 1.47E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair