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PubMed code 24520998

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Ras-related C3 botulinum toxin substrate 1


(Homo sapiens (Human))
BDBM50007190
PNG
(CHEMBL3237589)
Show SMILES CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12
Show InChI InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29)
PDB
MMDB

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MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of Rac1 in human MDA-MB-435 cells after 24 hrs by G-LISA assay


J Med Chem 57: 2953-62 (2014)


Article DOI: 10.1021/jm401924s
BindingDB Entry DOI: 10.7270/Q2D2204K
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Homo sapiens (Human))
BDBM50007189
PNG
(CHEMBL3237582)
Show SMILES CC(CCCN(C)C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1
Show InChI InChI=1S/C22H31N7/c1-14(7-6-10-29(4)5)25-22-26-16(3)12-21(28-22)27-17-8-9-20-18(13-17)19(23)11-15(2)24-20/h8-9,11-14H,6-7,10H2,1-5H3,(H2,23,24)(H2,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.50E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of Rac1 in human MDA-MB-435 cells after 24 hrs by G-LISA assay


J Med Chem 57: 2953-62 (2014)


Article DOI: 10.1021/jm401924s
BindingDB Entry DOI: 10.7270/Q2D2204K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%