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PubMed code 11354381

Compile data set for download or QSAR
Found 19 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))		BDBM50098643
PNG
(1-((E)-1-Cyclooct-1-enyl)methyl-4-[(2,7-dichloro-9...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |t:4|
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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n/an/a 0.580n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50098643
PNG
(1-((E)-1-Cyclooct-1-enyl)methyl-4-[(2,7-dichloro-9...)
Show SMILES CC[N+]1(C\C2=C\CCCCCC2)CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12 |t:4|
Show InChI InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
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n/an/a 0.900n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50099482
PNG
(2-(6-Amino-benzothiazol-2-ylsulfanyl)-N-[1-(3,4-di...)
Show SMILES Nc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1
Show InChI InChI=1S/C21H22Cl2N4OS2/c22-16-3-1-13(9-17(16)23)11-27-7-5-15(6-8-27)25-20(28)12-29-21-26-18-4-2-14(24)10-19(18)30-21/h1-4,9-10,15H,5-8,11-12,24H2,(H,25,28)
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n/an/a 2.30n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50099479
PNG
(CHEMBL21143 | N-[1-(3,4-Dichloro-benzyl)-piperidin...)
Show SMILES CCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1
Show InChI InChI=1S/C23H25Cl2N3O2S2/c1-2-30-17-4-6-20-21(12-17)32-23(27-20)31-14-22(29)26-16-7-9-28(10-8-16)13-15-3-5-18(24)19(25)11-15/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H,26,29)
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n/an/a 20n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50099480
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-[1-(3,4-dichloro-b...)
Show SMILES Clc1ccc(CN2CCC(CC2)NC(=O)CSc2nc3ccccc3s2)cc1Cl
Show InChI InChI=1S/C21H21Cl2N3OS2/c22-16-6-5-14(11-17(16)23)12-26-9-7-15(8-10-26)24-20(27)13-28-21-25-18-3-1-2-4-19(18)29-21/h1-6,11,15H,7-10,12-13H2,(H,24,27)
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n/an/a 32n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50099483
PNG
(2-{[1-(3,4-Dichloro-benzyl)-piperidin-4-ylcarbamoy...)
Show SMILES CCOC(=O)c1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1
Show InChI InChI=1S/C24H25Cl2N3O3S2/c1-2-32-23(31)16-4-6-20-21(12-16)34-24(28-20)33-14-22(30)27-17-7-9-29(10-8-17)13-15-3-5-18(25)19(26)11-15/h3-6,11-12,17H,2,7-10,13-14H2,1H3,(H,27,30)
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n/an/a 48n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50099476
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-[1-(4-chloro-benzy...)
Show SMILES Clc1ccc(CN2CCC(CC2)NC(=O)CSc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H22ClN3OS2/c22-16-7-5-15(6-8-16)13-25-11-9-17(10-12-25)23-20(26)14-27-21-24-18-3-1-2-4-19(18)28-21/h1-8,17H,9-14H2,(H,23,26)
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n/an/a 79n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50099476
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-[1-(4-chloro-benzy...)
Show SMILES Clc1ccc(CN2CCC(CC2)NC(=O)CSc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C21H22ClN3OS2/c22-16-7-5-15(6-8-16)13-25-11-9-17(10-12-25)23-20(26)14-27-21-24-18-3-1-2-4-19(18)28-21/h1-8,17H,9-14H2,(H,23,26)
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n/an/a 260n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50099477
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-[1-(3-chloro-benzy...)
Show SMILES Clc1cccc(CN2CCC(CC2)NC(=O)CSc2nc3ccccc3s2)c1
Show InChI InChI=1S/C21H22ClN3OS2/c22-16-5-3-4-15(12-16)13-25-10-8-17(9-11-25)23-20(26)14-27-21-24-18-6-1-2-7-19(18)28-21/h1-7,12,17H,8-11,13-14H2,(H,23,26)
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n/an/a 280n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50099480
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-[1-(3,4-dichloro-b...)
Show SMILES Clc1ccc(CN2CCC(CC2)NC(=O)CSc2nc3ccccc3s2)cc1Cl
Show InChI InChI=1S/C21H21Cl2N3OS2/c22-16-6-5-14(11-17(16)23)12-26-9-7-15(8-10-26)24-20(27)13-28-21-25-18-3-1-2-4-19(18)29-21/h1-6,11,15H,7-10,12-13H2,(H,24,27)
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n/an/a 450n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50099481
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-(1-benzyl-piperidi...)
Show SMILES O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23N3OS2/c25-20(15-26-21-23-18-8-4-5-9-19(18)27-21)22-17-10-12-24(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,22,25)
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n/an/a 750n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50099478
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-(1-cyclohexylmethy...)
Show SMILES O=C(CSc1nc2ccccc2s1)NCC1CCCN(CC2CCCCC2)C1
Show InChI InChI=1S/C22H31N3OS2/c26-21(16-27-22-24-19-10-4-5-11-20(19)28-22)23-13-18-9-6-12-25(15-18)14-17-7-2-1-3-8-17/h4-5,10-11,17-18H,1-3,6-9,12-16H2,(H,23,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))		BDBM50099475
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-(1-benzyl-piperidi...)
Show SMILES O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C22H25N3OS2/c26-21(16-27-22-24-19-10-4-5-11-20(19)28-22)23-13-18-9-6-12-25(15-18)14-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR3 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50099482
PNG
(2-(6-Amino-benzothiazol-2-ylsulfanyl)-N-[1-(3,4-di...)
Show SMILES Nc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1
Show InChI InChI=1S/C21H22Cl2N4OS2/c22-16-3-1-13(9-17(16)23)11-27-7-5-15(6-8-27)25-20(28)12-29-21-26-18-4-2-14(24)10-19(18)30-21/h1-4,9-10,15H,5-8,11-12,24H2,(H,25,28)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50099479
PNG
(CHEMBL21143 | N-[1-(3,4-Dichloro-benzyl)-piperidin...)
Show SMILES CCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1
Show InChI InChI=1S/C23H25Cl2N3O2S2/c1-2-30-17-4-6-20-21(12-17)32-23(27-20)31-14-22(29)26-16-7-9-28(10-8-16)13-15-3-5-18(24)19(25)11-15/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H,26,29)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50099475
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-(1-benzyl-piperidi...)
Show SMILES O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C22H25N3OS2/c26-21(16-27-22-24-19-10-4-5-11-20(19)28-22)23-13-18-9-6-12-25(15-18)14-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,26)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50099481
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-(1-benzyl-piperidi...)
Show SMILES O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H23N3OS2/c25-20(15-26-21-23-18-8-4-5-9-19(18)27-21)22-17-10-12-24(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,22,25)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50099483
PNG
(2-{[1-(3,4-Dichloro-benzyl)-piperidin-4-ylcarbamoy...)
Show SMILES CCOC(=O)c1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1
Show InChI InChI=1S/C24H25Cl2N3O3S2/c1-2-32-23(31)16-4-6-20-21(12-16)34-24(28-20)33-14-22(30)27-17-7-9-29(10-8-17)13-15-3-5-18(25)19(26)11-15/h3-6,11-12,17H,2,7-10,13-14H2,1H3,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50099477
PNG
(2-(Benzothiazol-2-ylsulfanyl)-N-[1-(3-chloro-benzy...)
Show SMILES Clc1cccc(CN2CCC(CC2)NC(=O)CSc2nc3ccccc3s2)c1
Show InChI InChI=1S/C21H22ClN3OS2/c22-16-5-3-4-15(12-16)13-25-10-8-17(9-11-25)23-20(26)14-27-21-24-18-6-1-2-7-19(18)28-21/h1-7,12,17H,8-11,13-14H2,(H,23,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [125I]-Eotaxin binding to human CCR1 receptor expressed in CHO cells

Bioorg Med Chem Lett 11: 1219-23 (2001)


BindingDB Entry DOI: 10.7270/Q22V2FDC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%