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5 similar compounds to monomer 50300906

Compile data set for download or QSAR
Wt: 653.6
BDBM50300905
Wt: 653.6
BDBM50300907
Wt: 635.6
BDBM50300908
Wt: 651.6
BDBM50300909
Wt: 635.6
BDBM50300898

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50300905,50300907,50300908,50300909,50300898   
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
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300898
PNG
(CHEMBL570858 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-6-2-23(19-37)3-7-26)40-15-14-38-30(25-8-9-25)32(40)39-29)41(20-24-12-16-45(43,44)17-13-24)28(42)18-22-4-10-27(11-5-22)33(34,35)36/h2-7,10-11,14-15,21,24-25H,8-9,12-13,16-18,20H2,1H3/t21-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Mus musculus)
BDBM50300905
PNG
(CHEMBL578192 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of ITAC from CXCR3 receptor in mouse whole blood assay


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300907
PNG
(CHEMBL576097 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-27(34)26(16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300908
PNG
(CHEMBL576098 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1cccc(c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-7-5-22(19-37)6-8-26)40-14-13-38-30(25-9-10-25)32(40)39-29)41(20-23-11-15-45(43,44)16-12-23)28(42)18-24-3-2-4-27(17-24)33(34,35)36/h2-8,13-14,17,21,23,25H,9-12,15-16,18,20H2,1H3/t21-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300898
PNG
(CHEMBL570858 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-6-2-23(19-37)3-7-26)40-15-14-38-30(25-8-9-25)32(40)39-29)41(20-24-12-16-45(43,44)17-13-24)28(42)18-22-4-10-27(11-5-22)33(34,35)36/h2-7,10-11,14-15,21,24-25H,8-9,12-13,16-18,20H2,1H3/t21-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300909
PNG
(CHEMBL576099 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H32F3N5O4S/c1-21(29-31(26-7-5-22(19-37)6-8-26)40-14-13-38-30(25-9-10-25)32(40)39-29)41(20-23-11-15-46(43,44)16-12-23)28(42)18-24-3-2-4-27(17-24)45-33(34,35)36/h2-8,13-14,17,21,23,25H,9-12,15-16,18,20H2,1H3/t21-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300905
PNG
(CHEMBL578192 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 18.9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300905
PNG
(CHEMBL578192 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of ITAC from CXCR3 receptor in human whole blood assay


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300905
PNG
(CHEMBL578192 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300907
PNG
(CHEMBL576097 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-27(34)26(16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300908
PNG
(CHEMBL576098 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1cccc(c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-7-5-22(19-37)6-8-26)40-14-13-38-30(25-9-10-25)32(40)39-29)41(20-23-11-15-45(43,44)16-12-23)28(42)18-24-3-2-4-27(17-24)33(34,35)36/h2-8,13-14,17,21,23,25H,9-12,15-16,18,20H2,1H3/t21-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300909
PNG
(CHEMBL576099 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H32F3N5O4S/c1-21(29-31(26-7-5-22(19-37)6-8-26)40-14-13-38-30(25-9-10-25)32(40)39-29)41(20-23-11-15-46(43,44)16-12-23)28(42)18-24-3-2-4-27(17-24)45-33(34,35)36/h2-8,13-14,17,21,23,25H,9-12,15-16,18,20H2,1H3/t21-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300907
PNG
(CHEMBL576097 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-27(34)26(16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300908
PNG
(CHEMBL576098 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1cccc(c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-7-5-22(19-37)6-8-26)40-14-13-38-30(25-9-10-25)32(40)39-29)41(20-23-11-15-45(43,44)16-12-23)28(42)18-24-3-2-4-27(17-24)33(34,35)36/h2-8,13-14,17,21,23,25H,9-12,15-16,18,20H2,1H3/t21-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300898
PNG
(CHEMBL570858 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-6-2-23(19-37)3-7-26)40-15-14-38-30(25-8-9-25)32(40)39-29)41(20-24-12-16-45(43,44)17-13-24)28(42)18-22-4-10-27(11-5-22)33(34,35)36/h2-7,10-11,14-15,21,24-25H,8-9,12-13,16-18,20H2,1H3/t21-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300909
PNG
(CHEMBL576099 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1cccc(OC(F)(F)F)c1)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H32F3N5O4S/c1-21(29-31(26-7-5-22(19-37)6-8-26)40-14-13-38-30(25-9-10-25)32(40)39-29)41(20-23-11-15-46(43,44)16-12-23)28(42)18-24-3-2-4-27(17-24)45-33(34,35)36/h2-8,13-14,17,21,23,25H,9-12,15-16,18,20H2,1H3/t21-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50300905
PNG
(CHEMBL578192 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...)
Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1
Show InChI InChI=1S/C33H31F4N5O3S/c1-20(29-31(25-5-2-21(18-38)3-6-25)41-13-12-39-30(24-7-8-24)32(41)40-29)42(19-22-10-14-46(44,45)15-11-22)28(43)17-23-4-9-26(27(34)16-23)33(35,36)37/h2-6,9,12-13,16,20,22,24H,7-8,10-11,14-15,17,19H2,1H3/t20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IP10 from CXCR3 receptor expressed in PBMC in presence of human plasma


Bioorg Med Chem Lett 19: 5200-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.021
BindingDB Entry DOI: 10.7270/Q2W95980
More data for this
Ligand-Target Pair