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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [1-37]' and Ligand = 'BDBM54675'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GTPase KRas [1-37]


(Homo sapiens (Human))
BDBM54675
PNG
((5Z)-5-(2-ketoindolin-3-ylidene)hydantoin | (5Z)-5...)
Show SMILES O=C1NC(=O)\C(N1)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H7N3O3/c15-9-7(8-10(16)14-11(17)13-8)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,15)(H2,13,14,16,17)/b8-7-
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23N21VG
More data for this
Ligand-Target Pair
GTPase KRas [1-37]


(Homo sapiens (Human))
BDBM54675
PNG
((5Z)-5-(2-ketoindolin-3-ylidene)hydantoin | (5Z)-5...)
Show SMILES O=C1NC(=O)\C(N1)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H7N3O3/c15-9-7(8-10(16)14-11(17)13-8)5-3-1-2-4-6(5)12-9/h1-4H,(H,12,15)(H2,13,14,16,17)/b8-7-
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D21W1M
More data for this
Ligand-Target Pair