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PubMed code 26191361

Compile data set for download or QSAR
Found 6 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
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50112266
PNG
(CHEMBL3608763)
Show SMILES C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)
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antibodypedia
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PC sid
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of CXCR4 in human Jurkat cells assessed as reduction in HIV-Nef-M1-induced mitochondrial membrane depolarization at 0.01 to 100 uM by JC1 ...


ACS Med Chem Lett 6: 753-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00036
BindingDB Entry DOI: 10.7270/Q2K64KVQ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50112266
PNG
(CHEMBL3608763)
Show SMILES C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Antagonist activity against CXCR4 (unknown origin) by Ca2+ flux GPCR signaling assay


ACS Med Chem Lett 6: 753-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00036
BindingDB Entry DOI: 10.7270/Q2K64KVQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50112266
PNG
(CHEMBL3608763)
Show SMILES C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)
PDB

KEGG

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Article
PubMed
n/an/a 3.60E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of CCR5 assessed as reduction in fusion of effector cells expressing JRFL envelope (CCR5-tropic/CD4-dependent) with human HeLa-C14 target ...


ACS Med Chem Lett 6: 753-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00036
BindingDB Entry DOI: 10.7270/Q2K64KVQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50112267
PNG
(CHEMBL3608771)
Show SMILES COc1ncc(CN2CCC(CC2)c2[nH]ncc2Cc2ccccc2)cn1
Show InChI InChI=1S/C21H25N5O/c1-27-21-22-12-17(13-23-21)15-26-9-7-18(8-10-26)20-19(14-24-25-20)11-16-5-3-2-4-6-16/h2-6,12-14,18H,7-11,15H2,1H3,(H,24,25)
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Article
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1beta form CCR5 (unknown origin)


ACS Med Chem Lett 6: 753-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00036
BindingDB Entry DOI: 10.7270/Q2K64KVQ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50112266
PNG
(CHEMBL3608763)
Show SMILES C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.20E+4n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of CXCR4 assessed as reduction in fusion of human ACTOne-X4 cells as target cells expressing only CXCR4) with effector cells expressing HI...


ACS Med Chem Lett 6: 753-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00036
BindingDB Entry DOI: 10.7270/Q2K64KVQ
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50112266
PNG
(CHEMBL3608763)
Show SMILES C(N1CCC(CC1)c1[nH]ncc1Cc1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H24N4/c1-2-4-17(5-3-1)14-20-15-23-24-21(20)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.00E+4n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of CXCR4 assessed as reduction in fusion of human HeLa/67 as target cells expressing CD4, CCR5, and CXCR4) and Lai envelope-expressing eff...


ACS Med Chem Lett 6: 753-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00036
BindingDB Entry DOI: 10.7270/Q2K64KVQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%