Compile Data Set for Download or QSAR
Found 3316 Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5'
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50134046((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(cc1C)-c1ccncc1)c1ccc(Br)cc1
Show InChI InChI=1S/C34H41BrN4O2/c1-5-41-37-32(27-6-8-30(35)9-7-27)28-12-18-39(19-13-28)34(4)14-20-38(21-15-34)33(40)31-24(2)22-29(23-25(31)3)26-10-16-36-17-11-26/h6-11,16-17,22-23,28H,5,12-15,18-21H2,1-4H3/b37-32-
Affinity DataKi:  0.100nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Macaca fascicularis)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50334986(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
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
Affinity DataKi:  0.240nMAssay Description:Displacement of [125I]-MIP-1alpha from CCR5 in rhesus monkey Chem-1 cell membranes after 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Macaca fascicularis)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50464147(CHEMBL256907)
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
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
Affinity DataKi:  0.240nMAssay Description:Displacement of [125I]MIP-1alpha from CCR5 receptor in rhesus monkey membrane incubated for 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM160935(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
Affinity DataKi:  0.240nMAssay Description:Afterwards, the pharmacological profile of bivalent ligand 1 at the chemokine receptor CCR5 was characterized similarly. The competitive radioligand ...More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124943((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)cncc1Br)c1ccc(Br)cc1
Show InChI InChI=1S/C26H31Br3N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24+
Affinity DataKi:  0.300nMAssay Description:Inhibition of [125I]RANTES binding to CCR5 receptor.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50134054((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)cncc1Br)c1ccc(Br)cc1
Show InChI InChI=1S/C26H31Br3N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24-
Affinity DataKi:  0.300nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124953((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1
Show InChI InChI=1S/C26H31BrCl2N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24+
Affinity DataKi:  0.400nMAssay Description:Inhibition of [125I]RANTES binding to CCR5 receptor.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50134070((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1
Show InChI InChI=1S/C26H31BrCl2N4O2/c1-3-35-31-24(18-4-6-20(27)7-5-18)19-8-12-33(13-9-19)26(2)10-14-32(15-11-26)25(34)23-21(28)16-30-17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b31-24-
Affinity DataKi:  0.400nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124957((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)c[n+]([O-])cc1Br)c1ccc(Br)cc1
Show InChI InChI=1S/C26H31Br3N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3
Affinity DataKi:  0.700nMAssay Description:Inhibition of [125I]RANTES binding to CCR5 receptor.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50123438((3,5-Dichloro-pyridin-4-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H31Cl2F3N4O/c1-17-16-34(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-33(11-9-25)24(36)23-21(27)14-32-15-22(23)28/h4-7,14-15,17-18H,8-13,16H2,1-3H3/t17-,18-/m0/s1
Affinity DataKi:  0.700nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50123438((3,5-Dichloro-pyridin-4-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H31Cl2F3N4O/c1-17-16-34(12-13-35(17)18(2)19-4-6-20(7-5-19)26(29,30)31)25(3)8-10-33(11-9-25)24(36)23-21(27)14-32-15-22(23)28/h4-7,14-15,17-18H,8-13,16H2,1-3H3/t17-,18-/m0/s1
Affinity DataKi:  0.700nMAssay Description:Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124957((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Br)c[n+]([O-])cc1Br)c1ccc(Br)cc1
Show InChI InChI=1S/C26H31Br3N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3
Affinity DataKi:  0.700nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50398339(CHEMBL2178569)
Show SMILES CC1(C)CN(CC\C=C2/c3cccnc3COc3ccc(cc23)C(O)=O)C[C@@H]([C@H]1O)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H31ClN2O4/c1-30(2)18-33(16-25(28(30)34)19-7-10-21(31)11-8-19)14-4-6-22-23-5-3-13-32-26(23)17-37-27-12-9-20(29(35)36)15-24(22)27/h3,5-13,15,25,28,34H,4,14,16-18H2,1-2H3,(H,35,36)/b22-6+/t25-,28-/m1/s1
Affinity DataKi:  1nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104954((2,6-Dimethyl-phenyl)-(4-methyl-4-{(S)-3-methyl-4-...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H38F3N3O/c1-20-7-6-8-21(2)26(20)27(36)33-15-13-28(5,14-16-33)34-17-18-35(22(3)19-34)23(4)24-9-11-25(12-10-24)29(30,31)32/h6-12,22-23H,13-19H2,1-5H3/t22-,23-/m0/s1
Affinity DataKi:  1nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104942((4-Fluoro-naphthalen-1-yl)-{4-[4-(4-methoxy-benzen...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
Show InChI InChI=1S/C35H37FN2O4S/c1-42-28-8-12-30(13-9-28)43(40,41)29-10-6-25(7-11-29)24-26-16-20-37(21-17-26)27-18-22-38(23-19-27)35(39)33-14-15-34(36)32-5-3-2-4-31(32)33/h2-15,26-27H,16-24H2,1H3
Affinity DataKi:  1nMAssay Description:Inhibition of RANTES binding to C-C chemokine receptor type 5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104933(CHEMBL105821 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+
Affinity DataKi:  1.10nMAssay Description:Inhibition of RANTES binding to C-C chemokine receptor type 5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50145684((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...)
Show SMILES CCC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H40F3N5O/c1-6-7-25(23-8-10-24(11-9-23)29(30,31)32)37-17-16-36(18-20(37)2)28(5)12-14-35(15-13-28)27(38)26-21(3)33-19-34-22(26)4/h8-11,19-20,25H,6-7,12-18H2,1-5H3/t20-,25-/m0/s1
Affinity DataKi:  1.10nMAssay Description:Antagonistic activity of the compound against C-C chemokine receptor type 5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104940(CHEMBL323172 | {4-[(4-Bromo-phenyl)-methoxyimino-m...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+
Affinity DataKi:  1.10nMAssay Description:Inhibition of RANTES binding to C-C chemokine receptor type 5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50134044((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26-
Affinity DataKi:  1.10nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50134072((4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'...)
Show SMILES CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25-
Affinity DataKi:  1.10nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Mus musculus)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50104933(CHEMBL105821 | {4-[(4-Bromo-phenyl)-ethoxyimino-me...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+
Affinity DataKi:  1.10nMAssay Description:Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Mus musculus)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50104940(CHEMBL323172 | {4-[(4-Bromo-phenyl)-methoxyimino-m...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-19-9-14-29-20(2)24(19)26(33)31-17-12-27(3,13-18-31)32-15-10-22(11-16-32)25(30-34-4)21-5-7-23(28)8-6-21/h5-9,14,22H,10-13,15-18H2,1-4H3/b30-25+
Affinity DataKi:  1.10nMAssay Description:Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124946((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(Br)cc1
Show InChI InChI=1S/C26H31BrCl2N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3
Affinity DataKi:  1.20nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124946((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(Br)cc1
Show InChI InChI=1S/C26H31BrCl2N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3
Affinity DataKi:  1.20nMAssay Description:Inhibition of [125I]RANTES binding to CCR5 receptor.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124956((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(SC)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2S/c1-6-36-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(37-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25-
Affinity DataKi:  1.30nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124956((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(SC)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2S/c1-6-36-32-25(21-7-9-23(29)10-8-21)22-11-15-34(16-12-22)28(4)13-17-33(18-14-28)26(35)24-19(2)30-27(37-5)31-20(24)3/h7-10,22H,6,11-18H2,1-5H3/b32-25-
Affinity DataKi:  1.30nMAssay Description:Inhibition of [125I]RANTES binding to CCR5 receptor.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50145681((4,6-Dimethyl-pyrimidin-5-yl)-(4-methyl-4-{(S)-3-m...)
Show SMILES C[C@H]1CN(CCN1[C@@H](Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
Show InChI InChI=1S/C33H40F3N5O/c1-23-21-40(32(4)14-16-39(17-15-32)31(42)30-24(2)37-22-38-25(30)3)18-19-41(23)29(20-26-8-6-5-7-9-26)27-10-12-28(13-11-27)33(34,35)36/h5-13,22-23,29H,14-21H2,1-4H3/t23-,29-/m0/s1
Affinity DataKi:  1.40nMAssay Description:Antagonistic activity of the compound against C-C chemokine receptor type 5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50088301((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
Affinity DataKi:  1.40nMAssay Description:Inhibitory activity of the compound against specific binding of [125I]-MIP-1 alpha to human CCR5 receptorMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50145686((4-{(S)-4-[(S)-2-Cyclopropyl-1-(4-trifluoromethyl-...)
Show SMILES C[C@H]1CN(CCN1[C@@H](CC1CC1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
Show InChI InChI=1S/C30H40F3N5O/c1-20-18-37(29(4)11-13-36(14-12-29)28(39)27-21(2)34-19-35-22(27)3)15-16-38(20)26(17-23-5-6-23)24-7-9-25(10-8-24)30(31,32)33/h7-10,19-20,23,26H,5-6,11-18H2,1-4H3/t20-,26-/m0/s1
Affinity DataKi:  1.60nMAssay Description:Antagonistic activity of the compound against C-C chemokine receptor type 5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50115528((Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-met...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+
Affinity DataKi:  1.80nMAssay Description:Inhibition of RANTES binding to C-C chemokine receptor type 5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Mus musculus)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50115512(CHEMBL324671 | {4-[(4-Bromo-phenyl)-methoxyimino-m...)
Show SMILES CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26+
Affinity DataKi:  2nMAssay Description:Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124958((4-{(4-Bromo-phenyl)-[(E)-propoxyimino]-methyl}-4'...)
Show SMILES CCCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-5-18-36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(4)12-16-33(17-13-28)27(35)25-20(2)30-19-31-21(25)3/h6-9,19,23H,5,10-18H2,1-4H3/b32-26-
Affinity DataKi:  2nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104930((Z)-{4-[(4-Bromo-phenyl)-methoxyimino-methyl]-[1,4...)
Show SMILES CO\N=C(/C1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H34BrN3O2/c1-19-5-4-6-20(2)25(19)27(32)31-17-13-24(14-18-31)30-15-11-22(12-16-30)26(29-33-3)21-7-9-23(28)10-8-21/h4-10,22,24H,11-18H2,1-3H3/b29-26-
Affinity DataKi:  2nMAssay Description:Inhibition of RANTES binding to C-C chemokine receptor type 5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104946((2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1
Affinity DataKi:  2nMAssay Description:Ability to inhibit [125I]-labeled RANTES binding to the CCR5 receptor expressed in membrane preparations from CHO cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Mus musculus)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50115528((Z)-(4-((4-bromophenyl)(ethoxyimino)methyl)-4'-met...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27+
Affinity DataKi:  2nMAssay Description:Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50398340(CHEMBL2178576)
Show SMILES CO\N=C(/c1ccc(Br)cc1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C
Show InChI InChI=1S/C22H26BrN3O3/c1-15-9-12-26(28)16(2)19(15)21(27)25-13-10-22(3,11-14-25)20(24-29-4)17-5-7-18(23)8-6-17/h5-9,12H,10-11,13-14H2,1-4H3/b24-20+
Affinity DataKi:  2nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104929((4-{(4-Bromo-phenyl)-[(E)-methoxyimino]-methyl}-4'...)
Show SMILES CO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26-
Affinity DataKi:  2nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104935((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27-
Affinity DataKi:  2nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124958((4-{(4-Bromo-phenyl)-[(E)-propoxyimino]-methyl}-4'...)
Show SMILES CCCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-5-18-36-32-26(22-6-8-24(29)9-7-22)23-10-14-34(15-11-23)28(4)12-16-33(17-13-28)27(35)25-20(2)30-19-31-21(25)3/h6-9,19,23H,5,10-18H2,1-4H3/b32-26-
Affinity DataKi:  2nMAssay Description:Inhibition of [125I]RANTES binding to CCR5 receptor.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50145685((4,6-Dimethyl-pyrimidin-5-yl)-(4-{(S)-4-[(R)-2-met...)
Show SMILES COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1
Affinity DataKi:  2.10nMAssay Description:Inhibition of [125I]RANTES binding to CCR5 receptor.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124951((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-6-36-32-26(22-7-9-24(29)10-8-22)23-11-15-34(16-12-23)28(5)13-17-33(18-14-28)27(35)25-19(2)30-21(4)31-20(25)3/h7-10,23H,6,11-18H2,1-5H3/b32-26-
Affinity DataKi:  2.10nMAssay Description:Inhibition of [125I]RANTES binding to CCR5 receptor.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124951((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H38BrN5O2/c1-6-36-32-26(22-7-9-24(29)10-8-22)23-11-15-34(16-12-23)28(5)13-17-33(18-14-28)27(35)25-19(2)30-21(4)31-20(25)3/h7-10,23H,6,11-18H2,1-5H3/b32-26-
Affinity DataKi:  2.10nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Mus musculus)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50104931((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
Affinity DataKi:  2.10nMAssay Description:Inhibition of RANTES binding to Chemokine receptor type 5 receptor from NIH 3T3 cellsMore data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104931((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
Affinity DataKi:  2.10nMAssay Description:Inhibition of RANTES binding to C-C chemokine receptor type 5More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104931((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''...)
Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
Affinity DataKi:  2.10nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50134052((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H36BrN5O2/c1-5-35-31-25(21-6-8-23(28)9-7-21)22-10-14-33(15-11-22)27(4)12-16-32(17-13-27)26(34)24-19(2)29-18-30-20(24)3/h6-9,18,22H,5,10-17H2,1-4H3/b31-25-
Affinity DataKi:  2.20nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50124948((4-{(4-Bromo-phenyl)-[(Z)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H36BrN5O2/c1-5-35-31-25(21-6-8-23(28)9-7-21)22-10-14-33(15-11-22)27(4)12-16-32(17-13-27)26(34)24-19(2)29-18-30-20(24)3/h6-9,18,22H,5,10-17H2,1-4H3/b31-25+
Affinity DataKi:  2.20nMAssay Description:Inhibition of [125I]RANTES binding to CCR5 receptor.More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104946((2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1
Affinity DataKi:  2.30nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50134047((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4'-...)
Show SMILES CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cncc1C)c1ccc(Br)cc1
Show InChI InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-10-14-33(15-11-23)28(4)12-16-32(17-13-28)27(34)25-20(2)18-30-19-21(25)3/h6-9,18-19,23H,5,10-17H2,1-4H3/b31-26-
Affinity DataKi:  2.30nMAssay Description:Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5)More data for this Ligand-Target Pair
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Lindsley F. Kimball Research Institute

Curated by ChEMBL
LigandPNGBDBM50104946((2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{(S)-3-met...)
Show SMILES C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1
Affinity DataKi:  2.30nMAssay Description:Binding affinity at C-C chemokine receptor type 5More data for this Ligand-Target Pair
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