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12 similar compounds to monomer 50334986

Compile data set for download or QSAR
Wt: 513.6
BDBM160935
Purchase
Wt: 473.6
BDBM50248481
Wt: 501.6
BDBM50248482
Wt: 451.6
BDBM50248322
Wt: 465.6
BDBM50248323
Wt: 501.6
BDBM50248439
Wt: 473.6
BDBM50248440
Wt: 487.6
BDBM50276414
Wt: 437.6
BDBM50276091
Wt: 503.6
BDBM50312848
Wt: 652.8
BDBM50446234
Wt: 576.8
BDBM50446236

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 160935,50248481,50248482,50248322,50248323,50248439,50248440,50276414,50276091,50312848,50446234,50446236   
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
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM160935
PNG
(US10167299, Maraviroc | US9107954, maraviroc)
Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
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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US Patent
0.240n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

US Patent


Assay Description
Afterwards, the pharmacological profile of bivalent ligand 1 at the chemokine receptor CCR5 was characterized similarly. The competitive radioligand ...


US Patent US9107954 (2015)


BindingDB Entry DOI: 10.7270/Q27943D1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50446234
PNG
(CHEMBL3109175)
Show SMILES Cc1nnc(CCCCCCCCCCN=[N+]=[N-])n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
Show InChI InChI=1S/C36H54F2N8O/c1-27-42-43-34(15-11-6-4-2-3-5-7-12-23-40-44-39)46(27)32-25-30-16-17-31(26-32)45(30)24-20-33(28-13-9-8-10-14-28)41-35(47)29-18-21-36(37,38)22-19-29/h8-10,13-14,29-33H,2-7,11-12,15-26H2,1H3,(H,41,47)/t30?,31?,32?,33-/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 JR-FL-induced cell-cell fusion between viral envelope...


ACS Med Chem Lett 5: 133-137 (2014)


Article DOI: 10.1021/ml400370w
BindingDB Entry DOI: 10.7270/Q2RB762X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50446236
PNG
(CHEMBL3109177)
Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCN=[N+]=[N-])c1ccccc1
Show InChI InChI=1S/C33H52N8O/c1-25(2)33-38-37-26(3)41(33)30-23-28-18-19-29(24-30)40(28)22-20-31(27-15-11-10-12-16-27)36-32(42)17-13-8-6-4-5-7-9-14-21-35-39-34/h10-12,15-16,25,28-31H,4-9,13-14,17-24H2,1-3H3,(H,36,42)/t28?,29?,30?,31-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 JR-FL-induced cell-cell fusion between viral envelope...


ACS Med Chem Lett 5: 133-137 (2014)


Article DOI: 10.1021/ml400370w
BindingDB Entry DOI: 10.7270/Q2RB762X
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276091
PNG
(CHEMBL469724 | N-((1S)-3-(4-(3-isopropyl-5-methyl-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1
Show InChI InChI=1S/C26H39N5O/c1-18(2)25-29-28-20(4)31(25)23-13-15-30(16-14-23)19(3)17-24(21-9-6-5-7-10-21)27-26(32)22-11-8-12-22/h5-7,9-10,18-19,22-24H,8,11-17H2,1-4H3,(H,27,32)/t19?,24-/m0/s1
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n/an/a 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: 1075-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.009
BindingDB Entry DOI: 10.7270/Q27M08VH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50276414
PNG
((S)-4,4-difluoro-N-(3-(4-(3-isopropyl-5-methyl-4H-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1
Show InChI InChI=1S/C27H39F2N5O/c1-19(2)25-32-31-20(3)34(25)23-11-16-33(17-12-23)18-13-24(21-7-5-4-6-8-21)30-26(35)22-9-14-27(28,29)15-10-22/h4-8,19,22-24H,9-18H2,1-3H3,(H,30,35)/t24-/m0/s1
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n/an/a 7.5n/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: 1075-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.009
BindingDB Entry DOI: 10.7270/Q27M08VH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276091
PNG
(CHEMBL469724 | N-((1S)-3-(4-(3-isopropyl-5-methyl-...)
Show SMILES CC(C)c1nnc(C)n1C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1
Show InChI InChI=1S/C26H39N5O/c1-18(2)25-29-28-20(4)31(25)23-13-15-30(16-14-23)19(3)17-24(21-9-6-5-7-10-21)27-26(32)22-11-8-12-22/h5-7,9-10,18-19,22-24H,8,11-17H2,1-4H3,(H,27,32)/t19?,24-/m0/s1
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n/an/a 4.00E+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: 1075-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.009
BindingDB Entry DOI: 10.7270/Q27M08VH
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50312848
PNG
(CHEMBL1087153 | N-((S)-3-((1R,3S,5S)-3-(3,5-dimeth...)
Show SMILES Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1
Show InChI InChI=1S/C27H36F3N5O/c1-17-32-33-18(2)35(17)24-15-22-6-7-23(16-24)34(22)13-10-25(20-4-3-5-21(28)14-20)31-26(36)19-8-11-27(29,30)12-9-19/h3-5,14,19,22-25H,6-13,15-16H2,1-2H3,(H,31,36)/t22-,23+,24+,25-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Displacement of [128I]RANTES from human CCR5 receptor coexpressed with Galphai6 in CHO cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1674-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.080
BindingDB Entry DOI: 10.7270/Q23B6131
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
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))
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
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))
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
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))
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
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
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
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
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
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
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
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
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
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))
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
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))
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
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
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))
BDBM160935
PNG
(US10167299, Maraviroc | US9107954, maraviroc)
Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
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 7.38n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ...


US Patent US10167299 (2019)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM160935
PNG
(US10167299, Maraviroc | US9107954, maraviroc)
Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
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 7.75E+3n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
1. CHO-hERG cells which have been incubated overnight were added with sample buffer and incubated for 90 minutes at room temperature in darkness.2. T...


US Patent US10167299 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM160935
PNG
(US10167299, Maraviroc | US9107954, maraviroc)
Show SMILES CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
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 2.20n/an/an/an/an/an/a



Virginia Commonwealth University

US Patent


Assay Description
Then the Ca2+ functional activity of bivalent ligand 1 was evaluated in the Gqi5 transfected CCR5-MOLT-4 cells as described in the literature.3 As ex...


US Patent US9107954 (2015)


BindingDB Entry DOI: 10.7270/Q27943D1
More data for this
Ligand-Target Pair