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2 similar compounds to monomer 50314758

Compile data set for download or QSAR
Wt: 349.4
BDBM50314756
Wt: 389.5
BDBM50314757

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314756,50314757   
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
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50314757
PNG
(CHEMBL1091591 | N-methyl-N-((1-(1-methylpiperidin-...)
Show SMILES CN(Cc1nc2ccccc2n1C1CCN(C)CC1)C1CCCc2cccnc12
Show InChI InChI=1S/C24H31N5/c1-27-15-12-19(13-16-27)29-21-10-4-3-9-20(21)26-23(29)17-28(2)22-11-5-7-18-8-6-14-25-24(18)22/h3-4,6,8-10,14,19,22H,5,7,11-13,15-17H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 76n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CXCR4


Bioorg Med Chem Lett 20: 2125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.053
BindingDB Entry DOI: 10.7270/Q2ZW1M20
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50314756
PNG
(CHEMBL577268 | N-((1-(3-aminopropyl)-1H-benzo[d]im...)
Show SMILES CN(Cc1nc2ccccc2n1CCCN)C1CCCc2cccnc12
Show InChI InChI=1S/C21H27N5/c1-25(19-11-4-7-16-8-5-13-23-21(16)19)15-20-24-17-9-2-3-10-18(17)26(20)14-6-12-22/h2-3,5,8-10,13,19H,4,6-7,11-12,14-15,22H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CXCR4


Bioorg Med Chem Lett 20: 2125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.053
BindingDB Entry DOI: 10.7270/Q2ZW1M20
More data for this
Ligand-Target Pair