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5 similar compounds to monomer 50316633

Compile data set for download or QSAR
Wt: 310.4
BDBM50337560
Wt: 324.4
BDBM50337561
Wt: 324.4
BDBM50337564
Wt: 352.5
BDBM50337571
Wt: 324.4
BDBM50337582

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50337560,50337561,50337564,50337571,50337582   
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))
BDBM50337560
PNG
((+/-)-N1-(pyridine-2-ylmethyl)-N1-(5,6,7,8-tetrahy...)
Show SMILES NCCCCN(Cc1ccccn1)C1CCCc2cccnc12
Show InChI InChI=1S/C19H26N4/c20-11-2-4-14-23(15-17-9-1-3-12-21-17)18-10-5-7-16-8-6-13-22-19(16)18/h1,3,6,8-9,12-13,18H,2,4-5,7,10-11,14-15,20H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50337561
PNG
(CHEMBL1682854 | rac-N1-(3-methylpyridin-2-ylmethyl...)
Show SMILES Cc1cccnc1CN(CCCCN)C1CCCc2cccnc12
Show InChI InChI=1S/C20H28N4/c1-16-7-5-12-22-18(16)15-24(14-3-2-11-21)19-10-4-8-17-9-6-13-23-20(17)19/h5-7,9,12-13,19H,2-4,8,10-11,14-15,21H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50337582
PNG
((S)-N1-((6-methylpyridin-2-yl)methyl)-N1-(5,6,7,8-...)
Show SMILES Cc1cccc(CN(CCCCN)[C@H]2CCCc3cccnc23)n1
Show InChI InChI=1S/C20H28N4/c1-16-7-4-10-18(23-16)15-24(14-3-2-12-21)19-11-5-8-17-9-6-13-22-20(17)19/h4,6-7,9-10,13,19H,2-3,5,8,11-12,14-15,21H2,1H3/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 96.1n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50337571
PNG
(CHEMBL1682864 | rac-N1-(3-isopropylpyridin-2-ylmet...)
Show SMILES CC(C)c1cccnc1CN(CCCCN)C1CCCc2cccnc12
Show InChI InChI=1S/C22H32N4/c1-17(2)19-10-7-13-24-20(19)16-26(15-4-3-12-23)21-11-5-8-18-9-6-14-25-22(18)21/h6-7,9-10,13-14,17,21H,3-5,8,11-12,15-16,23H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50337564
PNG
(CHEMBL1682857 | rac-N1-(6-Methylpyridin-2-ylmethyl...)
Show SMILES Cc1cccc(CN(CCCCN)C2CCCc3cccnc23)n1
Show InChI InChI=1S/C20H28N4/c1-16-7-4-10-18(23-16)15-24(14-3-2-12-21)19-11-5-8-17-9-6-13-22-20(17)19/h4,6-7,9-10,13,19H,2-3,5,8,11-12,14-15,21H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling


Bioorg Med Chem Lett 21: 1414-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.021
BindingDB Entry DOI: 10.7270/Q2FT8M9F
More data for this
Ligand-Target Pair