Found 555 hits with Last Name = 'kenakin' and Initial = 't' 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 |
|---|
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240692
(CHEMBL4078588)Show SMILES Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r| Show InChI InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
antibodypedia
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UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240694
(CHEMBL4067722)Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r| Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1 | UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50240693
(CHEMBL4097569)Show SMILES Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r| Show InChI InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1 | UniProtKB/SwissProt
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PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50135213
(CHEMBL3747016)Show SMILES Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1 |r| Show InChI InChI=1S/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/m0/s1 | UniProtKB/SwissProt
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PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates |
J Med Chem 60: 6649-6663 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50528407
(CHEMBL4561016)Show InChI InChI=1S/C18H18ClN5O/c19-14-7-6-13(11-25)15(10-14)16-22-17(20)24-18(23-16)21-9-8-12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H3,20,21,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from recombinant human 5HT2B stably expressed in HEK cell membranes incubated for 90 mins under dark condition by microbeta s... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50528407
(CHEMBL4561016)Show InChI InChI=1S/C18H18ClN5O/c19-14-7-6-13(11-25)15(10-14)16-22-17(20)24-18(23-16)21-9-8-12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H3,20,21,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from recombinant human 5HT2B stably expressed in HEK cell membranes incubated for 90 mins under dark condition by microbeta s... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50528406
(CHEMBL4465512)Show InChI InChI=1S/C19H20ClN5O/c20-15-9-8-14(12-26)16(11-15)17-23-18(21)25-19(24-17)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,26H,4,7,10,12H2,(H3,21,22,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 212 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in Flp-In-HEK cells co-expressing Gq assessed as inhibition of 5HT-induced stimulation of calci... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50528405
(CHEMBL4449712)Show SMILES Nc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(n1)-c1c(F)cccc1CO Show InChI InChI=1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/h1-12,30H,13-14H2,(H3,25,26,27,28,29) | PDB
Reactome pathway
KEGG
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UniChem
| Article
PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from recombinant human 5HT2B stably expressed in HEK cell membranes incubated for 90 mins under dark condition by microbeta s... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50528405
(CHEMBL4449712)Show SMILES Nc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(n1)-c1c(F)cccc1CO Show InChI InChI=1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/h1-12,30H,13-14H2,(H3,25,26,27,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
| Article
PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from recombinant human 5HT2B stably expressed in HEK cell membranes incubated for 90 mins under dark condition by microbeta s... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50528406
(CHEMBL4465512)Show InChI InChI=1S/C19H20ClN5O/c20-15-9-8-14(12-26)16(11-15)17-23-18(21)25-19(24-17)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,26H,4,7,10,12H2,(H3,21,22,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from recombinant human 5HT2B stably expressed in HEK cell membranes incubated for 90 mins under dark condition by microbeta s... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50528408
(CHEMBL4436453)Show InChI InChI=1S/C17H16ClN5O/c18-13-7-5-11(6-8-13)9-20-17-22-15(21-16(19)23-17)14-4-2-1-3-12(14)10-24/h1-8,24H,9-10H2,(H3,19,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from recombinant human A2A receptor incubated for 90 mins under dark condition by microbeta scintillation method |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50528405
(CHEMBL4449712)Show SMILES Nc1nc(NCc2ccc(Oc3ccccc3)cc2)nc(n1)-c1c(F)cccc1CO Show InChI InChI=1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/h1-12,30H,13-14H2,(H3,25,26,27,28,29) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
| Article
PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in Flp-In-HEK cells co-expressing Gq assessed as inhibition of 5HT-induced stimulation of calci... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50528406
(CHEMBL4465512)Show InChI InChI=1S/C19H20ClN5O/c20-15-9-8-14(12-26)16(11-15)17-23-18(21)25-19(24-17)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,26H,4,7,10,12H2,(H3,21,22,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from recombinant human 5HT2B stably expressed in HEK cell membranes incubated for 90 mins under dark condition by microbeta s... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50528407
(CHEMBL4561016)Show InChI InChI=1S/C18H18ClN5O/c19-14-7-6-13(11-25)15(10-14)16-22-17(20)24-18(23-16)21-9-8-12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H3,20,21,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 678 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor expressed in Flp-In-HEK cells co-expressing Gq assessed as inhibition of 5HT-induced stimulation of calci... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50528408
(CHEMBL4436453)Show InChI InChI=1S/C17H16ClN5O/c18-13-7-5-11(6-8-13)9-20-17-22-15(21-16(19)23-17)14-4-2-1-3-12(14)10-24/h1-8,24H,9-10H2,(H3,19,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inverse agonist activity at recombinant human A2A receptor expressed in HEK293T cells co-expressing Gs assessed as decrease in cAMP accumulation meas... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50528408
(CHEMBL4436453)Show InChI InChI=1S/C17H16ClN5O/c18-13-7-5-11(6-8-13)9-20-17-22-15(21-16(19)23-17)14-4-2-1-3-12(14)10-24/h1-8,24H,9-10H2,(H3,19,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human A2A receptor expressed in HEK293T cells co-expressing Gs assessed as inhibition of NECA-stimulated cAMP accu... |
J Med Chem 62: 7557-7574 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00869
BindingDB Entry DOI: 10.7270/Q22N55Q5 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50418490
(CHEMBL1784385)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 |r,THB:18:17:11.10.16:13.14| Show InChI InChI=1S/C33H44N4O/c1-24-34-29-12-8-9-13-30(29)37(24)28-22-26-14-15-27(23-28)36(26)21-18-33(25-10-6-5-7-11-25)16-19-35(20-17-33)31(38)32(2,3)4/h5-13,26-28H,14-23H2,1-4H3/t26-,27+,28+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.355 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting |
J Med Chem 54: 3756-67 (2011)
Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257737
(CHEMBL444497 | methyl 2-(4-fluorophenyl)-2-(4-(2-(...)Show SMILES COC(=O)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)c1ccc(F)cc1 |r,THB:19:17:11:13.14| Show InChI InChI=1S/C37H43FN4O2/c1-26-39-33-10-6-7-11-34(33)42(26)32-24-30-16-17-31(25-32)41(30)23-20-37(28-8-4-3-5-9-28)18-21-40(22-19-37)35(36(43)44-2)27-12-14-29(38)15-13-27/h3-15,30-32,35H,16-25H2,1-2H3/t30-,31+,32+,35? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50412735
(CHEMBL454251)Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1cccc(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C33H43ClN4O/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3/t26-,27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells |
J Med Chem 51: 6538-46 (2008)
Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257690
((E)-methyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d]im...)Show SMILES CO\C(=N\C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,THB:20:18:12:14.15| Show InChI InChI=1S/C31H38N6O/c1-23-34-28-10-6-7-11-29(28)37(23)27-20-25-12-13-26(21-27)36(25)19-16-31(24-8-4-3-5-9-24)14-17-35(18-15-31)30(38-2)33-22-32/h3-11,25-27H,12-21H2,1-2H3/b33-30+/t25-,26+,27+ | PDB
KEGG
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GoogleScholar
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UniChem
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257691
((E)-isopropyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d...)Show SMILES CC(C)O\C(=N\C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,THB:22:20:14:16.17| Show InChI InChI=1S/C33H42N6O/c1-24(2)40-32(35-23-34)37-18-15-33(16-19-37,26-9-5-4-6-10-26)17-20-38-27-13-14-28(38)22-29(21-27)39-25(3)36-30-11-7-8-12-31(30)39/h4-12,24,27-29H,13-22H2,1-3H3/b35-32+/t27-,28+,29+ | PDB
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257734
(2-(2,3-dimethylphenyl)-2-(4-(2-(3-(2-methyl-1H-ben...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1cccc(C)c1C)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C38H46N4O2/c1-26-10-9-13-33(27(26)2)36(37(43)44)40-21-18-38(19-22-40,29-11-5-4-6-12-29)20-23-41-30-16-17-31(41)25-32(24-30)42-28(3)39-34-14-7-8-15-35(34)42/h4-15,30-32,36H,16-25H2,1-3H3,(H,43,44)/t30-,31+,32+,36? | PDB
KEGG
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| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257641
(1-(8-(2-(1-(furan-2-ylmethyl)-4-phenylpiperidin-4-...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(Cc2ccco2)CC1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C33H40N4O/c1-25-34-31-11-5-6-12-32(31)37(25)29-22-27-13-14-28(23-29)36(27)20-17-33(26-8-3-2-4-9-26)15-18-35(19-16-33)24-30-10-7-21-38-30/h2-12,21,27-29H,13-20,22-24H2,1H3/t27-,28+,29+ | PDB
KEGG
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| CHEMBL
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PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257731
(2-(4-fluorophenyl)-2-(4-(3-fluorophenyl)-4-(2-(3-(...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccc(F)cc1)c1cccc(F)c1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C36H40F2N4O2/c1-24-39-32-7-2-3-8-33(32)42(24)31-22-29-13-14-30(23-31)41(29)20-17-36(26-5-4-6-28(38)21-26)15-18-40(19-16-36)34(35(43)44)25-9-11-27(37)12-10-25/h2-12,21,29-31,34H,13-20,22-23H2,1H3,(H,43,44)/t29-,30+,31+,34? | PDB
KEGG
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PC sid
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Similars
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PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257642
(CHEMBL524050 | N-isopropyl-4-(2-(3-(2-methyl-1H-be...)Show SMILES CC(C)NC(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,THB:20:18:12:14.15| Show InChI InChI=1S/C32H43N5O/c1-23(2)33-31(38)35-18-15-32(16-19-35,25-9-5-4-6-10-25)17-20-36-26-13-14-27(36)22-28(21-26)37-24(3)34-29-11-7-8-12-30(29)37/h4-12,23,26-28H,13-22H2,1-3H3,(H,33,38)/t26-,27+,28+ | PDB
KEGG
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257736
(CHEMBL506273 | methyl 2-(4-(2-(3-(2-methyl-1H-benz...)Show SMILES COC(=O)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)c1ccccc1 |r,THB:19:17:11:13.14| Show InChI InChI=1S/C37H44N4O2/c1-27-38-33-15-9-10-16-34(33)41(27)32-25-30-17-18-31(26-32)40(30)24-21-37(29-13-7-4-8-14-29)19-22-39(23-20-37)35(36(42)43-2)28-11-5-3-6-12-28/h3-16,30-32,35H,17-26H2,1-2H3/t30-,31+,32+,35? | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257728
((E)-N-((4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=N/C#N)\N1CCOCC1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C34H43N7O/c1-26-37-31-9-5-6-10-32(31)41(26)30-23-28-11-12-29(24-30)40(28)18-15-34(27-7-3-2-4-8-27)13-16-38(17-14-34)33(36-25-35)39-19-21-42-22-20-39/h2-10,28-30H,11-24H2,1H3/b36-33+/t28-,29+,30+ | PDB
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257733
(2-(2,6-dimethylphenyl)-2-(4-(2-(3-(2-methyl-1H-ben...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1c(C)cccc1C)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C38H46N4O2/c1-26-10-9-11-27(2)35(26)36(37(43)44)40-21-18-38(19-22-40,29-12-5-4-6-13-29)20-23-41-30-16-17-31(41)25-32(24-30)42-28(3)39-33-14-7-8-15-34(33)42/h4-15,30-32,36H,16-25H2,1-3H3,(H,43,44)/t30-,31+,32+,36? | PDB
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PC sid
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| Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50412739
(CHEMBL503033)Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30-/m1/s1 | PDB
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PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells |
J Med Chem 51: 6538-46 (2008)
Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50418505
(CHEMBL1784481)Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C35H39ClN4O/c1-25-37-32-12-5-6-13-33(32)40(25)31-23-29-14-15-30(24-31)39(29)21-18-35(27-9-3-2-4-10-27)16-19-38(20-17-35)34(41)26-8-7-11-28(36)22-26/h2-13,22,29-31H,14-21,23-24H2,1H3 | PDB
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting |
J Med Chem 54: 3756-67 (2011)
Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50412762
(CHEMBL444938)Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)OC(C)(C)C)c1cccc(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C33H43ClN4O2/c1-23-35-29-10-5-6-11-30(29)38(23)28-21-26-12-13-27(22-28)37(26)19-16-33(24-8-7-9-25(34)20-24)14-17-36(18-15-33)31(39)40-32(2,3)4/h5-11,20,26-28H,12-19,21-22H2,1-4H3/t26-,27-/m1/s1 | PDB
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PC sid
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Similars
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PubMed
| n/a | n/a | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells |
J Med Chem 51: 6538-46 (2008)
Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50412738
(CHEMBL445772)Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1cccc(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C35H39ClN4O/c1-25-37-32-12-5-6-13-33(32)40(25)31-23-29-14-15-30(24-31)39(29)21-18-35(27-10-7-11-28(36)22-27)16-19-38(20-17-35)34(41)26-8-3-2-4-9-26/h2-13,22,29-31H,14-21,23-24H2,1H3/t29-,30-/m1/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells |
J Med Chem 51: 6538-46 (2008)
Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257644
(CHEMBL471149 | N-cyclohexyl-4-(2-(3-(2-methyl-1H-b...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)NC1CCCCC1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C35H47N5O/c1-26-36-32-14-8-9-15-33(32)40(26)31-24-29-16-17-30(25-31)39(29)23-20-35(27-10-4-2-5-11-27)18-21-38(22-19-35)34(41)37-28-12-6-3-7-13-28/h2,4-5,8-11,14-15,28-31H,3,6-7,12-13,16-25H2,1H3,(H,37,41)/t29-,30+,31+ | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257692
((E)-cyclopentyl N-cyano-4-(2-(3-(2-methyl-1H-benzo...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(\OC1CCCC1)=N/C#N)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C35H44N6O/c1-26-38-32-13-7-8-14-33(32)41(26)30-23-28-15-16-29(24-30)40(28)22-19-35(27-9-3-2-4-10-27)17-20-39(21-18-35)34(37-25-36)42-31-11-5-6-12-31/h2-4,7-10,13-14,28-31H,5-6,11-12,15-24H2,1H3/b37-34+/t28-,29+,30+ | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257643
(CHEMBL445003 | N-tert-butyl-4-(2-(3-(2-methyl-1H-b...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)NC(C)(C)C)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C33H45N5O/c1-24-34-29-12-8-9-13-30(29)38(24)28-22-26-14-15-27(23-28)37(26)21-18-33(25-10-6-5-7-11-25)16-19-36(20-17-33)31(39)35-32(2,3)4/h5-13,26-28H,14-23H2,1-4H3,(H,35,39)/t26-,27+,28+ | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257730
(2-(4-methoxyphenyl)-2-(4-(2-(3-(2-methyl-1H-benzo[...)Show SMILES COc1ccc(cc1)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)C(O)=O |r,THB:23:21:15:17.18| Show InChI InChI=1S/C37H44N4O3/c1-26-38-33-10-6-7-11-34(33)41(26)31-24-29-14-15-30(25-31)40(29)23-20-37(28-8-4-3-5-9-28)18-21-39(22-19-37)35(36(42)43)27-12-16-32(44-2)17-13-27/h3-13,16-17,29-31,35H,14-15,18-25H2,1-2H3,(H,42,43)/t29-,30+,31+,35? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257732
(2-(benzo[d][1,3]dioxol-5-yl)-2-(4-(2-(3-(2-methyl-...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccc2OCOc2c1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C37H42N4O4/c1-25-38-31-9-5-6-10-32(31)41(25)30-22-28-12-13-29(23-30)40(28)20-17-37(27-7-3-2-4-8-27)15-18-39(19-16-37)35(36(42)43)26-11-14-33-34(21-26)45-24-44-33/h2-11,14,21,28-30,35H,12-13,15-20,22-24H2,1H3,(H,42,43)/t28-,29+,30+,35? | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50412737
(CHEMBL501085)Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccc(Cl)c(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C33H42Cl2N4O/c1-22-36-29-7-5-6-8-30(29)39(22)26-20-24-10-11-25(21-26)38(24)18-15-33(23-9-12-27(34)28(35)19-23)13-16-37(17-14-33)31(40)32(2,3)4/h5-9,12,19,24-26H,10-11,13-18,20-21H2,1-4H3/t24-,25-/m1/s1 | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.24 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells |
J Med Chem 51: 6538-46 (2008)
Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257729
(2-(4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-a...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(C(O)=O)c1ccccc1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C36H42N4O2/c1-26-37-32-14-8-9-15-33(32)40(26)31-24-29-16-17-30(25-31)39(29)23-20-36(28-12-6-3-7-13-28)18-21-38(22-19-36)34(35(41)42)27-10-4-2-5-11-27/h2-15,29-31,34H,16-25H2,1H3,(H,41,42)/t29-,30+,31+,34? | PDB
KEGG
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50418547
(CHEMBL1784404)Show SMILES CCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H42N4O/c1-2-34-37-32-15-9-10-16-33(32)40(34)31-25-29-17-18-30(26-31)39(29)24-21-36(28-13-7-4-8-14-28)19-22-38(23-20-36)35(41)27-11-5-3-6-12-27/h3-16,29-31H,2,17-26H2,1H3 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.91 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting |
J Med Chem 54: 3756-67 (2011)
Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50418499
(CHEMBL1784400)Show SMILES Cc1nc2cc(F)ccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H39FN4O/c1-25-37-32-22-28(36)12-15-33(32)40(25)31-23-29-13-14-30(24-31)39(29)21-18-35(27-10-6-3-7-11-27)16-19-38(20-17-35)34(41)26-8-4-2-5-9-26/h2-12,15,22,29-31H,13-14,16-21,23-24H2,1H3 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting |
J Med Chem 54: 3756-67 (2011)
Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257727
((Z)-N'-cyano-N-methyl-4-(2-(3-(2-methyl-1H-benzo[d...)Show SMILES CNC(=NC#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,w:3.3,THB:20:18:12:14.15| Show InChI InChI=1S/C31H39N7/c1-23-35-28-10-6-7-11-29(28)38(23)27-20-25-12-13-26(21-27)37(25)19-16-31(24-8-4-3-5-9-24)14-17-36(18-15-31)30(33-2)34-22-32/h3-11,25-27H,12-21H2,1-2H3,(H,33,34)/t25-,26+,27+ | PDB
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PC cid
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UniChem
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PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257640
(2-((4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-...)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(Cc2ncco2)CC1)c1ccccc1 |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C32H39N5O/c1-24-34-29-9-5-6-10-30(29)37(24)28-21-26-11-12-27(22-28)36(26)19-15-32(25-7-3-2-4-8-25)13-17-35(18-14-32)23-31-33-16-20-38-31/h2-10,16,20,26-28H,11-15,17-19,21-23H2,1H3/t26-,27+,28+ | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257738
(CHEMBL500824 | methyl 2-(2,3-dimethylphenyl)-2-(4-...)Show SMILES COC(=O)C(N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1)c1cccc(C)c1C |r,THB:19:17:11:13.14| Show InChI InChI=1S/C39H48N4O2/c1-27-11-10-14-34(28(27)2)37(38(44)45-4)41-22-19-39(20-23-41,30-12-6-5-7-13-30)21-24-42-31-17-18-32(42)26-33(25-31)43-29(3)40-35-15-8-9-16-36(35)43/h5-16,31-33,37H,17-26H2,1-4H3/t31-,32+,33+,37? | PDB
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257694
((E)-isopropyl N-cyano-4-(2-(3-(2-methyl-1H-benzo[d...)Show SMILES CC(C)S\C(=N\C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,THB:22:20:14:16.17| Show InChI InChI=1S/C33H42N6S/c1-24(2)40-32(35-23-34)37-18-15-33(16-19-37,26-9-5-4-6-10-26)17-20-38-27-13-14-28(38)22-29(21-27)39-25(3)36-30-11-7-8-12-31(30)39/h4-12,24,27-29H,13-22H2,1-3H3/b35-32+/t27-,28+,29+ | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50418541
(CHEMBL1784479)Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-7-3-2-4-8-26)15-18-39(19-16-35)34(42)25-11-14-30(36)31(37)21-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3 | PDB
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting |
J Med Chem 54: 3756-67 (2011)
Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50412740
(CHEMBL507098)Show SMILES Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r,TLB:9:10:17:13.14,THB:18:17:10.11.16:13.14| Show InChI InChI=1S/C35H38Cl2N4O/c1-24-38-32-9-5-6-10-33(32)41(24)29-22-27-12-13-28(23-29)40(27)20-17-35(26-11-14-30(36)31(37)21-26)15-18-39(19-16-35)34(42)25-7-3-2-4-8-25/h2-11,14,21,27-29H,12-13,15-20,22-23H2,1H3/t27-,28-/m1/s1 | PDB
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells |
J Med Chem 51: 6538-46 (2008)
Article DOI: 10.1021/jm800598a
BindingDB Entry DOI: 10.7270/Q2WS8VG8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50418489
(CHEMBL1784384)Show SMILES Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1 |r,THB:18:17:11.10.16:13.14| Show InChI InChI=1S/C35H40N4O/c1-26-36-32-14-8-9-15-33(32)39(26)31-24-29-16-17-30(25-31)38(29)23-20-35(28-12-6-3-7-13-28)18-21-37(22-19-35)34(40)27-10-4-2-5-11-27/h2-15,29-31H,16-25H2,1H3/t29-,30+,31+ | PDB
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting |
J Med Chem 54: 3756-67 (2011)
Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50418548
(CHEMBL1784483)Show SMILES COc1cccc(c1)C(=O)N1CCC(CCN2C3CCC2CC(C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 Show InChI InChI=1S/C36H42N4O2/c1-26-37-33-13-6-7-14-34(33)40(26)31-24-29-15-16-30(25-31)39(29)22-19-36(28-10-4-3-5-11-28)17-20-38(21-18-36)35(41)27-9-8-12-32(23-27)42-2/h3-14,23,29-31H,15-22,24-25H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting |
J Med Chem 54: 3756-67 (2011)
Article DOI: 10.1021/jm200279v
BindingDB Entry DOI: 10.7270/Q26111K7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50257689
(CHEMBL506788 | N,N-diisopropyl-4-(2-(3-(2-methyl-1...)Show SMILES CC(C)N(C(C)C)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,THB:23:21:15:17.18| Show InChI InChI=1S/C35H49N5O/c1-25(2)39(26(3)4)34(41)37-20-17-35(18-21-37,28-11-7-6-8-12-28)19-22-38-29-15-16-30(38)24-31(23-29)40-27(5)36-32-13-9-10-14-33(32)40/h6-14,25-26,29-31H,15-24H2,1-5H3/t29-,30+,31+ | PDB
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UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane |
Bioorg Med Chem Lett 19: 1610-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.014
BindingDB Entry DOI: 10.7270/Q2VQ32JR |
More data for this
Ligand-Target Pair | |
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