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Compile Data Set for Download or QSAR

Found 10 hits from AnorMED Inc.   
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))
BDBM50369468
PNG
(CHEMBL1202231)
Show SMILES C(N1CCNCCc2cccc(CCNCC1)n2)c1ccc(CN2CCNCCc3cccc(CCNCC2)n3)cc1
Show InChI InChI=1S/C34H50N8/c1-3-31-11-15-35-19-23-41(24-20-36-16-12-32(4-1)39-31)27-29-7-9-30(10-8-29)28-42-25-21-37-17-13-33-5-2-6-34(40-33)14-18-38-22-26-42/h1-10,35-38H,11-28H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50035696
PNG
(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50081406
PNG
(1,5,8,11-tetraazacyclotetradecanyl[4-(1,5,8,11-tet...)
Show SMILES C(N1CCCNCCNCCNCCC1)c1ccc(CN2CCCNCCNCCNCCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-13-17-33-18-14-30-10-2-22-35(21-1)25-27-5-7-28(8-6-27)26-36-23-3-11-31-15-19-34-20-16-32-12-4-24-36/h5-8,29-34H,1-4,9-26H2
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 67n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50369469
PNG
(CHEMBL1202230)
Show SMILES C(N1CCNCc2cccc(CNCC1)n2)c1ccc(CN2CCNCc3cccc(CNCC2)n3)cc1
Show InChI InChI=1S/C30H42N8/c1-3-27-19-31-11-15-37(16-12-32-20-28(4-1)35-27)23-25-7-9-26(10-8-25)24-38-17-13-33-21-29-5-2-6-30(36-29)22-34-14-18-38/h1-10,31-34H,11-24H2
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Article
PubMed
n/an/a 4.36E+3n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50081405
PNG
(15-chloro-3,7,11,17-tetraazabicyclo[11.3.1]heptade...)
Show SMILES Clc1cc2CNCCCN(Cc3ccc(CN4CCCNCc5cc(Cl)cc(CNCCC4)n5)cc3)CCCNCc(c1)n2
Show InChI InChI=1S/C34H48Cl2N8/c35-29-17-31-21-37-9-1-13-43(14-2-10-38-22-32(18-29)41-31)25-27-5-7-28(8-6-27)26-44-15-3-11-39-23-33-19-30(36)20-34(42-33)24-40-12-4-16-44/h5-8,17-20,37-40H,1-4,9-16,21-26H2
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.74E+3n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50081409
PNG
(5,8-dioxa-1,12-diazacyclotetradecanyl[4-(5,8-dioxa...)
Show SMILES C(N1CCCOCCOCCCNCC1)c1ccc(CN2CCCOCCOCCCNCC2)cc1
Show InChI InChI=1S/C28H50N4O4/c1-9-29-11-15-31(13-3-19-35-23-21-33-17-1)25-27-5-7-28(8-6-27)26-32-14-4-20-36-24-22-34-18-2-10-30-12-16-32/h5-8,29-30H,1-4,9-26H2
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50081397
PNG
(5,8-dithia-1,12-diazacyclotetradecanyl[4-(5,8-dith...)
Show SMILES C(N1CCCSCCSCCCNCC1)c1ccc(CN2CCCSCCSCCCNCC2)cc1
Show InChI InChI=1S/C28H50N4S4/c1-9-29-11-15-31(13-3-19-35-23-21-33-17-1)25-27-5-7-28(8-6-27)26-32-14-4-20-36-24-22-34-18-2-10-30-12-16-32/h5-8,29-30H,1-4,9-26H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50081395
PNG
(1,5,11-triazacyclotetradecanyl[4-(1,5,11-triazacyc...)
Show SMILES C(N1CCCNCCCCCNCCC1)c1ccc(CN2CCCNCCCCCNCCC2)cc1
Show InChI InChI=1S/C30H56N6/c1-3-15-31-19-7-23-35(24-8-20-32-16-4-1)27-29-11-13-30(14-12-29)28-36-25-9-21-33-17-5-2-6-18-34-22-10-26-36/h11-14,31-34H,1-10,15-28H2
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50081404
PNG
(3,7,11,15,17-pentaazabicyclo[11.3.1]heptadeca-1(16...)
Show SMILES C(N1CCCNCc2cncc(CNCCC1)n2)c1ccc(CN2CCCNCc3cncc(CNCCC2)n3)cc1
Show InChI InChI=1S/C32H48N10/c1-9-33-17-29-21-37-22-30(39-29)18-34-10-2-14-41(13-1)25-27-5-7-28(8-6-27)26-42-15-3-11-35-19-31-23-38-24-32(40-31)20-36-12-4-16-42/h5-8,21-24,33-36H,1-4,9-20,25-26H2
UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50081398
PNG
(7-{4-[15-hydroxy-3,7,11,17-tetraazabicyclo[11.3.1]...)
Show SMILES Oc1cc2CNCCCN(Cc3ccc(CN4CCCNCc5cc(O)cc(CNCCC4)n5)cc3)CCCNCc(c1)n2
Show InChI InChI=1S/C34H50N8O2/c43-33-17-29-21-35-9-1-13-41(14-2-10-36-22-30(18-33)39-29)25-27-5-7-28(8-6-27)26-42-15-3-11-37-23-31-19-34(44)20-32(40-31)24-38-12-4-16-42/h5-8,17-20,35-38H,1-4,9-16,21-26H2,(H,39,43)(H,40,44)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.50E+4n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


Article DOI: 10.1021/jm990211i
BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair