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PubMed code 17951061

Compile data set for download or QSAR
Found 20 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 3


(Homo sapiens (Human))		BDBM50375019
PNG
(CHEMBL258996)
Show SMILES Fc1ccc2cc(CN3[C@H]4CC[C@H]3CC(C4)NC(=O)c3ccccc3-c3ccccc3)ccc2c1 |THB:16:14:8:10.11|
Show InChI InChI=1S/C31H29FN2O/c32-25-13-12-23-16-21(10-11-24(23)17-25)20-34-27-14-15-28(34)19-26(18-27)33-31(35)30-9-5-4-8-29(30)22-6-2-1-3-7-22/h1-13,16-17,26-28H,14-15,18-20H2,(H,33,35)/t27-,28-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375019
PNG
(CHEMBL258996)
Show SMILES Fc1ccc2cc(CN3[C@H]4CC[C@H]3CC(C4)NC(=O)c3ccccc3-c3ccccc3)ccc2c1 |THB:16:14:8:10.11|
Show InChI InChI=1S/C31H29FN2O/c32-25-13-12-23-16-21(10-11-24(23)17-25)20-34-27-14-15-28(34)19-26(18-27)33-31(35)30-9-5-4-8-29(30)22-6-2-1-3-7-22/h1-13,16-17,26-28H,14-15,18-20H2,(H,33,35)/t27-,28-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50225349
PNG
(CHEMBL409830 | N-(1-((6-fluoronaphthalen-2-yl)meth...)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)NC(=O)c3ccccc3-c3ccccc3)ccc2c1
Show InChI InChI=1S/C29H27FN2O/c30-25-13-12-23-18-21(10-11-24(23)19-25)20-32-16-14-26(15-17-32)31-29(33)28-9-5-4-8-27(28)22-6-2-1-3-7-22/h1-13,18-19,26H,14-17,20H2,(H,31,33)
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n/an/a 38n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375015
PNG
(CHEMBL410041)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)NC(=O)c3ccccc3Oc3ccccc3)ccc2c1
Show InChI InChI=1S/C29H27FN2O2/c30-24-13-12-22-18-21(10-11-23(22)19-24)20-32-16-14-25(15-17-32)31-29(33)27-8-4-5-9-28(27)34-26-6-2-1-3-7-26/h1-13,18-19,25H,14-17,20H2,(H,31,33)
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n/an/a 95n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375014
PNG
(CHEMBL408368)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)NCc3ccccc3)ccc2c1
Show InChI InChI=1S/C23H25FN2/c24-22-9-8-20-14-19(6-7-21(20)15-22)17-26-12-10-23(11-13-26)25-16-18-4-2-1-3-5-18/h1-9,14-15,23,25H,10-13,16-17H2
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n/an/a 600n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50225353
PNG
(4-fluoro-N-(1-((6-fluoronaphthalen-2-yl)methyl)pip...)
Show SMILES Fc1ccc(cc1)C(=O)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1
Show InChI InChI=1S/C23H22F2N2O/c24-20-6-3-17(4-7-20)23(28)26-22-9-11-27(12-10-22)15-16-1-2-19-14-21(25)8-5-18(19)13-16/h1-8,13-14,22H,9-12,15H2,(H,26,28)
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n/an/a 640n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375010
PNG
(CHEMBL406468)
Show SMILES Fc1cccc(c1)C(=O)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1
Show InChI InChI=1S/C23H22F2N2O/c24-20-3-1-2-19(14-20)23(28)26-22-8-10-27(11-9-22)15-16-4-5-18-13-21(25)7-6-17(18)12-16/h1-7,12-14,22H,8-11,15H2,(H,26,28)
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n/an/a 670n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375017
PNG
(CHEMBL260649)
Show SMILES COc1ccccc1C(=O)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1
Show InChI InChI=1S/C24H25FN2O2/c1-29-23-5-3-2-4-22(23)24(28)26-21-10-12-27(13-11-21)16-17-6-7-19-15-20(25)9-8-18(19)14-17/h2-9,14-15,21H,10-13,16H2,1H3,(H,26,28)
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n/an/a 720n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375012
PNG
(CHEMBL260899)
Show SMILES CN(C1CCN(Cc2ccc3cc(F)ccc3c2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H25FN2O/c1-26(24(28)19-5-3-2-4-6-19)23-11-13-27(14-12-23)17-18-7-8-21-16-22(25)10-9-20(21)15-18/h2-10,15-16,23H,11-14,17H2,1H3
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n/an/a 810n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375013
PNG
(CHEMBL258790)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)NS(=O)(=O)c3ccccc3)ccc2c1
Show InChI InChI=1S/C22H23FN2O2S/c23-20-9-8-18-14-17(6-7-19(18)15-20)16-25-12-10-21(11-13-25)24-28(26,27)22-4-2-1-3-5-22/h1-9,14-15,21,24H,10-13,16H2
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n/an/a 830n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375006
PNG
(CHEMBL412061)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)NC(=O)c3cccc(Oc4ccccc4)c3)ccc2c1
Show InChI InChI=1S/C29H27FN2O2/c30-25-12-11-22-17-21(9-10-23(22)18-25)20-32-15-13-26(14-16-32)31-29(33)24-5-4-8-28(19-24)34-27-6-2-1-3-7-27/h1-12,17-19,26H,13-16,20H2,(H,31,33)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50192167
PNG
(CHEMBL214726 | N-(1-((6-fluoronaphthalen-2-yl)meth...)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)NC(=O)c3ccccc3)ccc2c1
Show InChI InChI=1S/C23H23FN2O/c24-21-9-8-19-14-17(6-7-20(19)15-21)16-26-12-10-22(11-13-26)25-23(27)18-4-2-1-3-5-18/h1-9,14-15,22H,10-13,16H2,(H,25,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375009
PNG
(CHEMBL260900)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)C(=O)Nc3ccccc3)ccc2c1
Show InChI InChI=1S/C23H23FN2O/c24-21-9-8-19-14-17(6-7-20(19)15-21)16-26-12-10-18(11-13-26)23(27)25-22-4-2-1-3-5-22/h1-9,14-15,18H,10-13,16H2,(H,25,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375016
PNG
(CHEMBL259409)
Show SMILES COc1ccc(cc1)C(=O)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1
Show InChI InChI=1S/C24H25FN2O2/c1-29-23-8-5-18(6-9-23)24(28)26-22-10-12-27(13-11-22)16-17-2-3-20-15-21(25)7-4-19(20)14-17/h2-9,14-15,22H,10-13,16H2,1H3,(H,26,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375005
PNG
(CHEMBL412072)
Show SMILES CC1(CCN(Cc2ccc3cc(F)ccc3c2)CC1)NC(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C30H29FN2O/c1-30(32-29(34)28-10-6-5-9-27(28)23-7-3-2-4-8-23)15-17-33(18-16-30)21-22-11-12-25-20-26(31)14-13-24(25)19-22/h2-14,19-20H,15-18,21H2,1H3,(H,32,34)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375008
PNG
(CHEMBL261574)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)NC(=O)c3ccccc3F)ccc2c1
Show InChI InChI=1S/C23H22F2N2O/c24-19-8-7-17-13-16(5-6-18(17)14-19)15-27-11-9-20(10-12-27)26-23(28)21-3-1-2-4-22(21)25/h1-8,13-14,20H,9-12,15H2,(H,26,28)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375018
PNG
(CHEMBL262588)
Show SMILES Fc1ccc(\C=C\CN2CCC(CC2)NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C21H23FN2O/c22-19-10-8-17(9-11-19)5-4-14-24-15-12-20(13-16-24)23-21(25)18-6-2-1-3-7-18/h1-11,20H,12-16H2,(H,23,25)/b5-4+
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n/an/a 3.40E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375007
PNG
(CHEMBL406296)
Show SMILES COc1cccc(c1)C(=O)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1
Show InChI InChI=1S/C24H25FN2O2/c1-29-23-4-2-3-20(15-23)24(28)26-22-9-11-27(12-10-22)16-17-5-6-19-14-21(25)8-7-18(19)13-17/h2-8,13-15,22H,9-12,16H2,1H3,(H,26,28)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50375011
PNG
(CHEMBL258997)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)OC(=O)Nc3ccccc3)ccc2c1
Show InChI InChI=1S/C23H23FN2O2/c24-20-9-8-18-14-17(6-7-19(18)15-20)16-26-12-10-22(11-13-26)28-23(27)25-21-4-2-1-3-5-21/h1-9,14-15,22H,10-13,16H2,(H,25,27)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50225356
PNG
((2E)-N-{1-[(6-fluoro-2-naphthyl)methyl]piperidin-4...)
Show SMILES Fc1ccc2cc(CN3CCC(CC3)NC(=O)\C=C\c3ccccc3)ccc2c1
Show InChI InChI=1S/C25H25FN2O/c26-23-10-9-21-16-20(6-8-22(21)17-23)18-28-14-12-24(13-15-28)27-25(29)11-7-19-4-2-1-3-5-19/h1-11,16-17,24H,12-15,18H2,(H,27,29)/b11-7+
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n/an/a 9.70E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR3 expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx

Bioorg Med Chem 16: 144-56 (2008)


Article DOI: 10.1016/j.bmc.2007.10.003
BindingDB Entry DOI: 10.7270/Q2445NBG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%