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PubMed code 15454223

Compile data set for download or QSAR
Found 9 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-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50153762
PNG
(3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S...)
Show SMILES COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 |w:6.5,c:23|
Show InChI InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MIP-1beta ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay

Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50153762
PNG
(3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S...)
Show SMILES COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 |w:6.5,c:23|
Show InChI InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MIP-1beta ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay

Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50153764
PNG
((Z)-1-((1S,2S)-2-((S)-hydroxy((R)-6-oxo-3,6-dihydr...)
Show SMILES CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 |w:6.6,c:25|
Show InChI InChI=1S/C21H22O7/c1-12(27-19(24)10-7-13-5-8-14(22)9-6-13)20(25)15-11-16(15)21(26)17-3-2-4-18(23)28-17/h2,4-10,12,15-17,21-22,26H,3,11H2,1H3/t12?,15-,16-,17+,21-/m0/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MIP-1beta ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay

Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50153762
PNG
(3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S...)
Show SMILES COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 |w:6.5,c:23|
Show InChI InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 50% of RANTES co-receptor of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay

Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50153762
PNG
(3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S...)
Show SMILES COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 |w:6.5,c:23|
Show InChI InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1
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PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MIP-1alpha ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay

Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50153762
PNG
(3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S...)
Show SMILES COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 |w:6.5,c:23|
Show InChI InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1
PDB

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES co-receptor of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay

Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50153762
PNG
(3-(4-Methoxy-phenyl)-acrylic acid 2-{(1S,2S)-2-[(S...)
Show SMILES COc1ccc(C=CC(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 |w:6.5,c:23|
Show InChI InChI=1S/C22H24O7/c1-13(28-20(24)11-8-14-6-9-15(27-2)10-7-14)21(25)16-12-17(16)22(26)18-4-3-5-19(23)29-18/h3,5-11,13,16-18,22,26H,4,12H2,1-2H3/t13?,16-,17-,18+,22-/m0/s1
PDB

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MIP-1alpha ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay

Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50153764
PNG
((Z)-1-((1S,2S)-2-((S)-hydroxy((R)-6-oxo-3,6-dihydr...)
Show SMILES CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 |w:6.6,c:25|
Show InChI InChI=1S/C21H22O7/c1-12(27-19(24)10-7-13-5-8-14(22)9-6-13)20(25)15-11-16(15)21(26)17-3-2-4-18(23)28-17/h2,4-10,12,15-17,21-22,26H,3,11H2,1H3/t12?,15-,16-,17+,21-/m0/s1
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of RANTES co-receptor of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay

Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50153764
PNG
((Z)-1-((1S,2S)-2-((S)-hydroxy((R)-6-oxo-3,6-dihydr...)
Show SMILES CC(OC(=O)C=Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 |w:6.6,c:25|
Show InChI InChI=1S/C21H22O7/c1-12(27-19(24)10-7-13-5-8-14(22)9-6-13)20(25)15-11-16(15)21(26)17-3-2-4-18(23)28-17/h2,4-10,12,15-17,21-22,26H,3,11H2,1H3/t12?,15-,16-,17+,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MIP-1alpha ligand of chemokine receptor 5 induced calcium signal in U-87-CCR5 cells by calcium mobilization assay

Bioorg Med Chem Lett 14: 5339-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.021
BindingDB Entry DOI: 10.7270/Q2SJ1K31
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%