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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'paradowski' and Initial = 'ka'   
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))		BDBM50276634
PNG
(CHEMBL515193 | N-((1S)-3-(4-(3-(3,4-dichlorobenzyl...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)NCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H40Cl2N4O2/c1-3-36(30(38)33-20-22-12-13-26(31)27(32)19-22)25-14-16-35(17-15-25)21(2)18-28(23-8-5-4-6-9-23)34-29(37)24-10-7-11-24/h4-6,8-9,12-13,19,21,24-25,28H,3,7,10-11,14-18,20H2,1-2H3,(H,33,38)(H,34,37)/t21?,28-/m0/s1
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n/an/a 0.00300n/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))		BDBM50276450
PNG
(CHEMBL460845 | N-((1S)-3-(4-(2-(3,4-dichlorophenyl...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H39Cl2N3O2/c1-3-35(29(36)20-22-12-13-26(31)27(32)19-22)25-14-16-34(17-15-25)21(2)18-28(23-8-5-4-6-9-23)33-30(37)24-10-7-11-24/h4-6,8-9,12-13,19,21,24-25,28H,3,7,10-11,14-18,20H2,1-2H3,(H,33,37)/t21?,28-/m0/s1
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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))		BDBM50276574
PNG
(CHEMBL457043 | N-((1S)-3-(4-(N-ethyl-2-(4-(methyls...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C31H43N3O4S/c1-4-34(30(35)22-24-13-15-28(16-14-24)39(3,37)38)27-17-19-33(20-18-27)23(2)21-29(25-9-6-5-7-10-25)32-31(36)26-11-8-12-26/h5-7,9-10,13-16,23,26-27,29H,4,8,11-12,17-22H2,1-3H3,(H,32,36)/t23?,29-/m0/s1
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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))		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))		BDBM50276683
PNG
(CHEMBL461687 | N-((1S)-3-(4-(3-benzyl-1-ethylureid...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H42N4O2/c1-3-34(30(36)31-22-24-11-6-4-7-12-24)27-17-19-33(20-18-27)23(2)21-28(25-13-8-5-9-14-25)32-29(35)26-15-10-16-26/h4-9,11-14,23,26-28H,3,10,15-22H2,1-2H3,(H,31,36)(H,32,35)/t23?,28-/m0/s1
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n/an/a 0.160n/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))		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))		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: 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))		BDBM50276499
PNG
(CHEMBL459384 | N-((1S)-3-(4-(2-(4-chlorophenyl)-N-...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H40ClN3O2/c1-3-34(29(35)21-23-12-14-26(31)15-13-23)27-16-18-33(19-17-27)22(2)20-28(24-8-5-4-6-9-24)32-30(36)25-10-7-11-25/h4-6,8-9,12-15,22,25,27-28H,3,7,10-11,16-21H2,1-2H3,(H,32,36)/t22?,28-/m0/s1
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n/an/a 0.340n/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))		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))		BDBM50276500
PNG
(CHEMBL456226 | N-((1S)-3-(4-(N-ethyl-2-(4-(trifluo...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C31H40F3N3O2/c1-3-37(29(38)21-23-12-14-26(15-13-23)31(32,33)34)27-16-18-36(19-17-27)22(2)20-28(24-8-5-4-6-9-24)35-30(39)25-10-7-11-25/h4-6,8-9,12-15,22,25,27-28H,3,7,10-11,16-21H2,1-2H3,(H,35,39)/t22?,28-/m0/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: 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))		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))		BDBM50276291
PNG
(CHEMBL472464 | N-benzyl-N-(1'-(2,6-dimethylbenzoyl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CC1
Show InChI InChI=1S/C31H41N3O2/c1-23-8-7-9-24(2)28(23)30(36)32-20-16-31(3,17-21-32)33-18-14-27(15-19-33)34(29(35)26-12-13-26)22-25-10-5-4-6-11-25/h4-11,26-27H,12-22H2,1-3H3
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n/an/a 0.5n/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: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
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))		BDBM50276501
PNG
(CHEMBL461690 | N-((1S)-3-(4-(N-ethyl-2-(4-fluoroph...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C30H40FN3O2/c1-3-34(29(35)21-23-12-14-26(31)15-13-23)27-16-18-33(19-17-27)22(2)20-28(24-8-5-4-6-9-24)32-30(36)25-10-7-11-25/h4-6,8-9,12-15,22,25,27-28H,3,7,10-11,16-21H2,1-2H3,(H,32,36)/t22?,28-/m0/s1
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n/an/a 0.940n/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))		BDBM50276260
PNG
((R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidi...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r|
Show InChI InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m1/s1
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n/an/a 1n/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: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50276259
PNG
(CHEMBL481068 | exo-N-benzyl-N-((R)-1-(8-(2,6-dimet...)
Show SMILES Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r,THB:8:10:15.16.17:12.13|
Show InChI InChI=1S/C31H39N3O2/c1-21-7-6-8-22(2)29(21)31(36)34-25-13-14-26(34)18-28(17-25)32-16-15-27(20-32)33(30(35)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-28H,11-20H2,1-2H3/t25-,26+,27-,28-/m1/s1
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n/an/a 1n/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: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
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))		BDBM50276575
PNG
(CHEMBL457044 | N-((1S)-3-(4-(2-(3-chlorophenyl)-N-...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C30H40ClN3O2/c1-3-34(29(35)21-23-9-7-14-26(31)20-23)27-15-17-33(18-16-27)22(2)19-28(24-10-5-4-6-11-24)32-30(36)25-12-8-13-25/h4-7,9-11,14,20,22,25,27-28H,3,8,12-13,15-19,21H2,1-2H3,(H,32,36)/t22?,28-/m0/s1
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n/an/a 1.54n/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))		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 |r|
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))		BDBM50276576
PNG
(CHEMBL457960 | N-((1S)-3-(4-(2-(2,4-dichlorophenyl...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C30H39Cl2N3O2/c1-3-35(29(36)19-24-12-13-25(31)20-27(24)32)26-14-16-34(17-15-26)21(2)18-28(22-8-5-4-6-9-22)33-30(37)23-10-7-11-23/h4-6,8-9,12-13,20-21,23,26,28H,3,7,10-11,14-19H2,1-2H3,(H,33,37)/t21?,28-/m0/s1
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n/an/a 2.33n/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))		BDBM50276290
PNG
(CHEMBL472260 | N-benzyl-N-(1'-(2,6-dimethylbenzoyl...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCC(CC1)N(Cc1ccccc1)C(=O)C1CCC1
Show InChI InChI=1S/C31H41N3O2/c1-23-8-6-9-24(2)29(23)31(36)33-20-14-27(15-21-33)32-18-16-28(17-19-32)34(30(35)26-12-7-13-26)22-25-10-4-3-5-11-25/h3-6,8-11,26-28H,7,12-22H2,1-2H3
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n/an/a 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: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
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))		BDBM50276685
PNG
(CHEMBL461689 | benzyl 1-((4S)-4-(cyclobutanecarbox...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C30H41N3O3/c1-3-33(30(35)36-22-24-11-6-4-7-12-24)27-17-19-32(20-18-27)23(2)21-28(25-13-8-5-9-14-25)31-29(34)26-15-10-16-26/h4-9,11-14,23,26-28H,3,10,15-22H2,1-2H3,(H,31,34)/t23?,28-/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: 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))		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))		BDBM50276686
PNG
(4-chlorophenyl 1-((4S)-4-(cyclobutanecarboxamido)-...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H38ClN3O3/c1-3-33(29(35)36-26-14-12-24(30)13-15-26)25-16-18-32(19-17-25)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,25,27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1
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n/an/a 3.40n/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: 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))		BDBM50276734
PNG
(4-fluorophenyl 1-((4S)-4-(cyclobutanecarboxamido)-...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H38FN3O3/c1-3-33(29(35)36-26-14-12-24(30)13-15-26)25-16-18-32(19-17-25)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,25,27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1
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n/an/a 3.63n/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))		BDBM50276577
PNG
(CHEMBL458157 | N-((1S)-3-(4-(N-ethyl-2-p-tolylacet...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(C)cc1 |r|
Show InChI InChI=1S/C31H43N3O2/c1-4-34(30(35)22-25-15-13-23(2)14-16-25)28-17-19-33(20-18-28)24(3)21-29(26-9-6-5-7-10-26)32-31(36)27-11-8-12-27/h5-7,9-10,13-16,24,27-29H,4,8,11-12,17-22H2,1-3H3,(H,32,36)/t24?,29-/m0/s1
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n/an/a 3.76n/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))		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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50276808
PNG
(CHEMBL460009 | N-((1S)-3-(4-(2-oxo-4-phenyl-2,3-di...)
Show SMILES CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1 |r|
Show InChI InChI=1S/C29H36N4O2/c1-21(19-26(22-9-4-2-5-10-22)30-28(34)24-13-8-14-24)32-17-15-25(16-18-32)33-20-27(31-29(33)35)23-11-6-3-7-12-23/h2-7,9-12,20-21,24-26H,8,13-19H2,1H3,(H,30,34)(H,31,35)/t21?,26-/m0/s1
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n/an/a 4.70n/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))		BDBM50276735
PNG
(CHEMBL460628 | N-(1-((4S)-4-(cyclobutanecarboxamid...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H38FN3O2/c1-3-33(29(35)24-12-14-25(30)15-13-24)26-16-18-32(19-17-26)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,26-27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1
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n/an/a 4.83n/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))		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))		BDBM50276449
PNG
(CHEMBL518794 | N-((1S)-3-(4-(N-ethyl-2-(4-methoxyp...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C31H43N3O3/c1-4-34(30(35)22-24-13-15-28(37-3)16-14-24)27-17-19-33(20-18-27)23(2)21-29(25-9-6-5-7-10-25)32-31(36)26-11-8-12-26/h5-7,9-10,13-16,23,26-27,29H,4,8,11-12,17-22H2,1-3H3,(H,32,36)/t23?,29-/m0/s1
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n/an/a 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
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))		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 |r|
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
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50276260
PNG
((R)-N-benzyl-N-(1-(1-(2,6-dimethylbenzoyl)piperidi...)
Show SMILES Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CC[C@H](C1)N(Cc1ccccc1)C(=O)C1CC1 |r|
Show InChI InChI=1S/C29H37N3O2/c1-21-7-6-8-22(2)27(21)29(34)30-16-13-25(14-17-30)31-18-15-26(20-31)32(28(33)24-11-12-24)19-23-9-4-3-5-10-23/h3-10,24-26H,11-20H2,1-2H3/t26-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125]Mip1beta form CCR5 receptor (unknown origin) expressed in MIP34.10 cells

Bioorg Med Chem Lett 19: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50276631
PNG
(CHEMBL514410 | N-((1S)-3-(4-(N-ethyl-2-phenylaceta...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C30H41N3O2/c1-3-33(29(34)22-24-11-6-4-7-12-24)27-17-19-32(20-18-27)23(2)21-28(25-13-8-5-9-14-25)31-30(35)26-15-10-16-26/h4-9,11-14,23,26-28H,3,10,15-22H2,1-2H3,(H,31,35)/t23?,28-/m0/s1
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n/an/a 13.4n/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))		BDBM50276447
PNG
(CHEMBL456019 | N-((S)-3-((1R,3S,5S)-3-(N-ethyl-2-(...)
Show SMILES CCN([C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(OC)cc1 |r,THB:11:10:4.3.9:7.6|
Show InChI InChI=1S/C32H43N3O3/c1-3-34(31(36)20-23-12-16-29(38-2)17-13-23)28-21-26-14-15-27(22-28)35(26)19-18-30(24-8-5-4-6-9-24)33-32(37)25-10-7-11-25/h4-6,8-9,12-13,16-17,25-28,30H,3,7,10-11,14-15,18-22H2,1-2H3,(H,33,37)/t26-,27+,28+,30-/m0/s1
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n/an/a 14n/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))		BDBM50276632
PNG
(CHEMBL456224 | N-((1S)-3-(4-(N-ethyl-2-(2-methoxyp...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccccc1OC |r|
Show InChI InChI=1S/C31H43N3O3/c1-4-34(30(35)22-26-13-8-9-16-29(26)37-3)27-17-19-33(20-18-27)23(2)21-28(24-11-6-5-7-12-24)32-31(36)25-14-10-15-25/h5-9,11-13,16,23,25,27-28H,4,10,14-15,17-22H2,1-3H3,(H,32,36)/t23?,28-/m0/s1
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n/an/a 17.9n/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: 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))		BDBM50276897
PNG
(CHEMBL459599 | N-((1S)-3-(4-(3-methyl-1,2,4-oxadia...)
Show SMILES CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1nc(C)no1 |r|
Show InChI InChI=1S/C23H32N4O2/c1-16(27-13-11-20(12-14-27)23-24-17(2)26-29-23)15-21(18-7-4-3-5-8-18)25-22(28)19-9-6-10-19/h3-5,7-8,16,19-21H,6,9-15H2,1-2H3,(H,25,28)/t16?,21-/m0/s1
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n/an/a 21.4n/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))		BDBM50276623
PNG
((4-((1-benzhydrylazetidin-3-yl)(methyl)amino)piper...)
Show SMILES CN(C1CN(C1)C(c1ccccc1)c1ccccc1)C1CCN(CC1)C(=O)c1c(C)ccnc1C
Show InChI InChI=1S/C30H36N4O/c1-22-14-17-31-23(2)28(22)30(35)33-18-15-26(16-19-33)32(3)27-20-34(21-27)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-14,17,26-27,29H,15-16,18-21H2,1-3H3
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n/an/a 24n/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: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50276736
PNG
(4-chloro-N-(1-((4S)-4-(cyclobutanecarboxamido)-4-p...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H38ClN3O2/c1-3-33(29(35)24-12-14-25(30)15-13-24)26-16-18-32(19-17-26)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,26-27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1
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n/an/a 25.3n/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: 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))		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))		BDBM50276737
PNG
(3,4-dichloro-N-(1-((4S)-4-(cyclobutanecarboxamido)...)
Show SMILES CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C29H37Cl2N3O2/c1-3-34(29(36)23-12-13-25(30)26(31)19-23)24-14-16-33(17-15-24)20(2)18-27(21-8-5-4-6-9-21)32-28(35)22-10-7-11-22/h4-6,8-9,12-13,19-20,22,24,27H,3,7,10-11,14-18H2,1-2H3,(H,32,35)/t20?,27-/m0/s1
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n/an/a 33.7n/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: 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))		BDBM50276090
PNG
(CHEMBL469542 | N-((1S)-3-(4-(3,5-dimethyl-4H-1,2,4...)
Show SMILES CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)n1c(C)nnc1C |r|
Show InChI InChI=1S/C24H35N5O/c1-17(28-14-12-22(13-15-28)29-18(2)26-27-19(29)3)16-23(20-8-5-4-6-9-20)25-24(30)21-10-7-11-21/h4-6,8-9,17,21-23H,7,10-16H2,1-3H3,(H,25,30)/t17?,23-/m0/s1
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n/an/a 37.5n/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
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50276672
PNG
((4-(3-benzhydryl-3,8-diazabicyclo[3.2.1]octan-8-yl...)
Show SMILES Cc1ccnc(C)c1C(=O)N1CCC(CC1)N1C2CCC1CN(C2)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H38N4O/c1-23-15-18-33-24(2)30(23)32(37)34-19-16-27(17-20-34)36-28-13-14-29(36)22-35(21-28)31(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15,18,27-29,31H,13-14,16-17,19-22H2,1-2H3
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n/an/a 41n/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: 1084-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.012
BindingDB Entry DOI: 10.7270/Q2W095SG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50276448
PNG
((S)-N-(3-(4-(2-(4-methoxyphenyl)acetamido)piperidi...)
Show SMILES COc1ccc(CC(=O)NC2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)cc1 |r|
Show InChI InChI=1S/C28H37N3O3/c1-34-25-12-10-21(11-13-25)20-27(32)29-24-14-17-31(18-15-24)19-16-26(22-6-3-2-4-7-22)30-28(33)23-8-5-9-23/h2-4,6-7,10-13,23-24,26H,5,8-9,14-20H2,1H3,(H,29,32)(H,30,33)/t26-/m0/s1
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n/an/a 48n/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))		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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
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
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