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PubMed code 19185490

Compile data set for download or QSAR
Found 27 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))
BDBM50248322
PNG
((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H41N5O/c1-19(2)26-30-29-21(4)32(26)24-14-16-31(17-15-24)20(3)18-25(22-10-6-5-7-11-22)28-27(33)23-12-8-9-13-23/h5-7,10-11,19-20,23-25H,8-9,12-18H2,1-4H3,(H,28,33)/t20?,25-/m0/s1
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n/an/a 0.137n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50334986
PNG
(4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...)
Show SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248440
PNG
((+/-)-3,3-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r|
Show InChI InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18?,23-/m0/s1
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n/an/a 0.380n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248481
PNG
(3,3-difluoro-N-((1S,3R)-3-(4-(3-isopropyl-5-methyl...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)[C@H](C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r|
Show InChI InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18-,23+/m1/s1
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n/an/a 0.480n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248323
PNG
((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H43N5O/c1-20(2)27-31-30-22(4)33(27)25-15-17-32(18-16-25)21(3)19-26(23-11-7-5-8-12-23)29-28(34)24-13-9-6-10-14-24/h5,7-8,11-12,20-21,24-26H,6,9-10,13-19H2,1-4H3,(H,29,34)/t21?,26-/m0/s1
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n/an/a 0.513n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248439
PNG
((+/-)-4,4-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20?,25-/m0/s1
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n/an/a 0.840n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248440
PNG
((+/-)-3,3-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r|
Show InChI InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18?,23-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248530
PNG
(4,4-difluoro-N-((1S)-3-(3-(5-isopropyl-3-methyl-1H...)
Show SMILES CC(C)c1nc(C)nn1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-32-20(3)34-36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)33-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,33,37)/t23?,24?,25?,26-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248269
PNG
((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...)
Show SMILES CC(C)C(=O)N[C@@H](CC(C)N1CCC(CC1)n1c(C)nnc1C(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C25H39N5O/c1-17(2)24-28-27-20(6)30(24)22-12-14-29(15-13-22)19(5)16-23(26-25(31)18(3)4)21-10-8-7-9-11-21/h7-11,17-19,22-23H,12-16H2,1-6H3,(H,26,31)/t19?,23-/m0/s1
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n/an/a 3.11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248268
PNG
((+/-)-2-cyclopropyl-N-((1S)-3-(4-(3-isopropyl-5-me...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)CC1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H39N5O/c1-18(2)26-29-28-20(4)31(26)23-12-14-30(15-13-23)19(3)16-24(22-8-6-5-7-9-22)27-25(32)17-21-10-11-21/h5-9,18-19,21,23-24H,10-17H2,1-4H3,(H,27,32)/t19?,24-/m0/s1
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n/an/a 3.16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248321
PNG
((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C25H37N5O/c1-17(2)24-28-27-19(4)30(24)22-12-14-29(15-13-22)18(3)16-23(20-8-6-5-7-9-20)26-25(31)21-10-11-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,26,31)/t18?,23-/m0/s1
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n/an/a 3.93n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248382
PNG
((+/-)-1-Oxo-hexahydro-1lambda*4*-thiopyran-4-carbo...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCS(=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H41N5O2S/c1-19(2)26-30-29-21(4)32(26)24-10-14-31(15-11-24)20(3)18-25(22-8-6-5-7-9-22)28-27(33)23-12-16-35(34)17-13-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,28,33)/t20?,23?,25-,35?/m0/s1
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n/an/a 4.87n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248383
PNG
((+/-)-1,1-Dioxo-hexahydro-1lambda*6*-thiopyran-4-c...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H41N5O3S/c1-19(2)26-30-29-21(4)32(26)24-10-14-31(15-11-24)20(3)18-25(22-8-6-5-7-9-22)28-27(33)23-12-16-36(34,35)17-13-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,28,33)/t20?,25-/m0/s1
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n/an/a 6.12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248384
PNG
((+/-)-1-acetyl-N-((1S)-3-(4-(3-isopropyl-5-methyl-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCN(CC1)C(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H44N6O2/c1-20(2)28-32-31-22(4)35(28)26-13-17-33(18-14-26)21(3)19-27(24-9-7-6-8-10-24)30-29(37)25-11-15-34(16-12-25)23(5)36/h6-10,20-21,25-27H,11-19H2,1-5H3,(H,30,37)/t21?,27-/m0/s1
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n/an/a 28.7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248482
PNG
(4,4-difluoro-N-((1S,3S)-3-(4-(3-isopropyl-5-methyl...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)[C@@H](C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20-,25-/m0/s1
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n/an/a 49.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248267
PNG
((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)COCC(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C25H36F3N5O2/c1-17(2)24-31-30-19(4)33(24)21-10-12-32(13-11-21)18(3)14-22(20-8-6-5-7-9-20)29-23(34)15-35-16-25(26,27)28/h5-9,17-18,21-22H,10-16H2,1-4H3,(H,29,34)/t18?,22-/m0/s1
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n/an/a 52.8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248439
PNG
((+/-)-4,4-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20?,25-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248266
PNG
((+/-)-3,3,3-trifluoro-N-((1S)-3-(4-(3-isopropyl-5-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)CC(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C24H34F3N5O/c1-16(2)23-30-29-18(4)32(23)20-10-12-31(13-11-20)17(3)14-21(19-8-6-5-7-9-19)28-22(33)15-24(25,26)27/h5-9,16-17,20-21H,10-15H2,1-4H3,(H,28,33)/t17?,21-/m0/s1
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n/an/a 85.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248212
PNG
((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(C)=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H35N5O/c1-16(2)23-26-25-18(4)28(23)21-11-13-27(14-12-21)17(3)15-22(24-19(5)29)20-9-7-6-8-10-20/h6-10,16-17,21-22H,11-15H2,1-5H3,(H,24,29)/t17?,22-/m0/s1
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n/an/a 89.2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248324
PNG
((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCOCC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H41N5O2/c1-19(2)26-30-29-21(4)32(26)24-10-14-31(15-11-24)20(3)18-25(22-8-6-5-7-9-22)28-27(33)23-12-16-34-17-13-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,28,33)/t20?,25-/m0/s1
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n/an/a 164n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248437
PNG
((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)N1CCOCC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H40N6O2/c1-19(2)25-29-28-21(4)32(25)23-10-12-30(13-11-23)20(3)18-24(22-8-6-5-7-9-22)27-26(33)31-14-16-34-17-15-31/h5-9,19-20,23-24H,10-18H2,1-4H3,(H,27,33)/t20?,24-/m0/s1
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n/an/a 176n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248438
PNG
((+/-)-N-((1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2,4-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)N1CCN(C)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H43N7O/c1-20(2)26-30-29-22(4)34(26)24-11-13-32(14-12-24)21(3)19-25(23-9-7-6-8-10-23)28-27(35)33-17-15-31(5)16-18-33/h6-10,20-21,24-25H,11-19H2,1-5H3,(H,28,35)/t21?,25-/m0/s1
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n/an/a 187n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50248385
PNG
((+/-)-methyl(1S)-3-(4-(3-isopropyl-5-methyl-4H-1,2...)
Show SMILES COC(=O)N[C@@H](CC(C)N1CCC(CC1)n1c(C)nnc1C(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C23H35N5O2/c1-16(2)22-26-25-18(4)28(22)20-11-13-27(14-12-20)17(3)15-21(24-23(29)30-5)19-9-7-6-8-10-19/h6-10,16-17,20-21H,11-15H2,1-5H3,(H,24,29)/t17?,21-/m0/s1
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n/an/a 315n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CCR5 expressed in human HeLa-P4 cells assessed as inhibition of human HeLa-P4 cells binding to HIV1 gp160 ex...


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50248439
PNG
((+/-)-4,4-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20?,25-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50248440
PNG
((+/-)-3,3-difluoro-N-((1S)-3-(4-(3-isopropyl-5-met...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r|
Show InChI InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18?,23-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50248482
PNG
(4,4-difluoro-N-((1S,3S)-3-(4-(3-isopropyl-5-methyl...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)[C@@H](C)C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H41F2N5O/c1-19(2)26-33-32-21(4)35(26)24-12-16-34(17-13-24)20(3)18-25(22-8-6-5-7-9-22)31-27(36)23-10-14-28(29,30)15-11-23/h5-9,19-20,23-25H,10-18H2,1-4H3,(H,31,36)/t20-,25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50248481
PNG
(3,3-difluoro-N-((1S,3R)-3-(4-(3-isopropyl-5-methyl...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)[C@H](C)C[C@H](NC(=O)C1CC(F)(F)C1)c1ccccc1 |r|
Show InChI InChI=1S/C26H37F2N5O/c1-17(2)24-31-30-19(4)33(24)22-10-12-32(13-11-22)18(3)14-23(20-8-6-5-7-9-20)29-25(34)21-15-26(27,28)16-21/h5-9,17-18,21-23H,10-16H2,1-4H3,(H,29,34)/t18-,23+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 19: 1499-503 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.008
BindingDB Entry DOI: 10.7270/Q2PN96JF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%