Found 18 hits of kd data for polymerid = 50002103,50004799,50004800,50005700,7256 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50267124
(CHEMBL2163486)Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,@@:7,THB:9:7:3.2:18| 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-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 expressed in HEK 293 Glosensor cells assessed as reduction in RANTES-induced intracellular calcium levels preincuba... |
J Med Chem 60: 1534-1554 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50336345
(4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methy...)Show SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r| Show InChI InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
National Heart and Lung Institute
Curated by ChEMBL
| Assay Description Binding affinity to CCR5 |
J Med Chem 55: 9363-92 (2012)
Article DOI: 10.1021/jm300682j BindingDB Entry DOI: 10.7270/Q2862HKR |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339033
(5-[(4-(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)...)Show SMILES CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F |r| Show InChI InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1 | PDB
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UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Activation of CCR5 in human PBMC cells |
ACS Med Chem Lett 1: 483-487 (2010)
Article DOI: 10.1021/ml1001536 BindingDB Entry DOI: 10.7270/Q2SQ90PC |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50267125
(CHEMBL4089991)Show SMILES [H][C@@]12CCc3nnc(C)n3[C@]1([H])CCN(CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1)C2 |r| Show InChI InChI=1S/C26H35F2N5O/c1-18-30-31-24-8-7-21-17-32(16-12-23(21)33(18)24)15-11-22(19-5-3-2-4-6-19)29-25(34)20-9-13-26(27,28)14-10-20/h2-6,20-23H,7-17H2,1H3,(H,29,34)/t21-,22-,23+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 expressed in HEK 293 Glosensor cells assessed as reduction in RANTES-induced intracellular calcium levels preincuba... |
J Med Chem 60: 1534-1554 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Mus musculus) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | KEGG
UniProtKB/SwissProt
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DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Binding affinity to CCR5 in NY1DD transgenic mouse brain membrane |
Proc Natl Acad Sci U S A 104: 6061-5 (2007)
Article DOI: 10.1073/pnas.0700295104 BindingDB Entry DOI: 10.7270/Q2SN08RG |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Mus musculus) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Binding affinity to CCR5 in C57BL/6J mouse brain membrane |
Proc Natl Acad Sci U S A 104: 6061-5 (2007)
Article DOI: 10.1073/pnas.0700295104 BindingDB Entry DOI: 10.7270/Q2SN08RG |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50509860
(CHEMBL4442783)Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1 | PDB
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description Binding affinity to CCR5 in T-cell (unknown origin) |
ACS Med Chem Lett 10: 300-305 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00439 BindingDB Entry DOI: 10.7270/Q22R3W0Q |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50334986
(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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to CCR5 |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50267126
(CHEMBL4068906)Show SMILES [H][C@]12CCc3nnc(C)n3[C@@]1([H])CCN(CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1)C2 |r| Show InChI InChI=1S/C26H35F2N5O/c1-18-30-31-24-8-7-21-17-32(16-12-23(21)33(18)24)15-11-22(19-5-3-2-4-6-19)29-25(34)20-9-13-26(27,28)14-10-20/h2-6,20-23H,7-17H2,1H3,(H,29,34)/t21-,22+,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description Antagonist activity at human CCR5 expressed in HEK 293 Glosensor cells assessed as reduction in RANTES-induced intracellular calcium levels preincuba... |
J Med Chem 60: 1534-1554 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01801 BindingDB Entry DOI: 10.7270/Q2251MPR |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50378981
(CHEMBL2011439)Show InChI InChI=1S/C20H19BrN2O/c21-18-9-10-20(24-15-16-6-2-1-3-7-16)17(12-18)13-22-14-19-8-4-5-11-23-19/h1-12,22H,13-15H2 | PDB
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UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50378980
(CHEMBL1618631)Show InChI InChI=1S/C17H20BrNO/c1-13(2)19-11-15-10-16(18)8-9-17(15)20-12-14-6-4-3-5-7-14/h3-10,13,19H,11-12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50378978
(CHEMBL2011440)Show InChI InChI=1S/C9H6Cl3N3O3S2/c1-18-9-8(13-6(11)7(12)14-9)15-20(16,17)5-3-2-4(10)19-5/h2-3H,1H3,(H,13,15) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 after 1 min by SPR assay |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50378978
(CHEMBL2011440)Show InChI InChI=1S/C9H6Cl3N3O3S2/c1-18-9-8(13-6(11)7(12)14-9)15-20(16,17)5-3-2-4(10)19-5/h2-3H,1H3,(H,13,15) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50378983
(CHEMBL1907216)Show InChI InChI=1S/C19H22BrNO2/c20-17-8-9-19(23-14-15-5-2-1-3-6-15)16(11-17)12-21-13-18-7-4-10-22-18/h1-3,5-6,8-9,11,18,21H,4,7,10,12-14H2 | PDB
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50378979
(CHEMBL2011441)Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.26E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50378982
(CHEMBL1623307)Show InChI InChI=1S/C18H22BrNO2/c1-18(2,13-21)20-11-15-10-16(19)8-9-17(15)22-12-14-6-4-3-5-7-14/h3-10,20-21H,11-13H2,1-2H3 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.75E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50378979
(CHEMBL2011441)Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.86E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 after 1 min by SPR assay |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50378977
(CHEMBL1621896)Show InChI InChI=1S/C19H27BrN2O2/c1-24-18-8-7-17(20)12-16(18)14-21-9-5-6-15(13-21)19(23)22-10-3-2-4-11-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis |
ACS Med Chem Lett 2: 549-554 (2011)
Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G |
More data for this Ligand-Target Pair | |