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BDBM50007190 CHEMBL3237589

SMILES: CCn1c2ccccc2c2cc(Nc3ccnc(NCCCN4CCOCC4)n3)ccc12

InChI Key: InChIKey=AFTZZRFCMOAFCR-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50007190   
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
Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 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)
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PC cid
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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/T-lymphoma invasion and metastasis-inducing protein 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)
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PC cid
PC sid
UniChem

Similars

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



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of Vav2 binding to Rac1 G15A mutant in human MDA-MB-231 cells after 1 hr by pull down assay


Bioorg Med Chem 26: 884-890 (2018)


Article DOI: 10.1016/j.bmc.2018.01.003
BindingDB Entry DOI: 10.7270/Q2319ZG5
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 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
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of Rac1 in human MDA-MB-231 cells assessed as reduction in Rac-GTP level after 24 hrs by ELISA-based pull down assay


Bioorg Med Chem 26: 884-890 (2018)


Article DOI: 10.1016/j.bmc.2018.01.003
BindingDB Entry DOI: 10.7270/Q2319ZG5
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 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

NCI pathway
Reactome pathway
KEGG

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B.MOAD
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GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Puerto Rico

Curated by ChEMBL


Assay Description
Inhibition of Rac1 in human MDA-MB-435 cells assessed as reduction in Rac-GTP level after 24 hrs by ELISA-based pull down assay


Bioorg Med Chem 26: 884-890 (2018)


Article DOI: 10.1016/j.bmc.2018.01.003
BindingDB Entry DOI: 10.7270/Q2319ZG5
More data for this
Ligand-Target Pair