Found 164 hits with Last Name = 'tautermann' and Initial = 'cs' 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 M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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UniChem
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PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Antagonist activity at human M3 receptor expressed in CHO cells assessed as inhibition of carbachol-induced response after 30 mins by AP-1-driven luc... |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 K523A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 R133A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 K213A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 D518A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 F225A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 E220A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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PubMed
| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 F222A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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PubMed
| 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 E228A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
UniProtKB/SwissProt
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M2 receptor |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50066861
(BA-679-BR | Spiriva | Tiotropium Bromide | Tiotrop...)Show SMILES O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5| Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+ | PDB
Reactome pathway
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| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 Q224A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50494453
(CHEMBL3091665)Show SMILES [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(C)(c1cccs1)c1cccs1 |r| Show InChI InChI=1S/C20H24NO3S2.BrH/c1-20(15-6-4-8-25-15,16-7-5-9-26-16)19(22)23-12-10-13-17-18(24-17)14(11-12)21(13,2)3;/h4-9,12-14,17-18H,10-11H2,1-3H3;1H/q+1;/p-1/t12-,13+,14-,17+,18-; | PDB
Reactome pathway
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UniChem
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PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50494455
(CHEMBL3091664)Show SMILES [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H26NO4.BrH/c1-24(2)18-13-17(14-19(24)21-20(18)28-21)27-22(25)23(26,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17-21,26H,13-14H2,1-2H3;1H/q+1;/p-1/t17-,18+,19-,20+,21-; | PDB
Reactome pathway
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UniChem
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| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50494458
(CHEMBL3091667)Show SMILES [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14+,15-,16+,17-;/m1./s1 | PDB
Reactome pathway
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| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50494459
(CHEMBL3091670)Show SMILES [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(CO)(c1cccs1)c1cccs1 |r| Show InChI InChI=1S/C20H24NO4S2.BrH/c1-21(2)13-9-12(10-14(21)18-17(13)25-18)24-19(23)20(11-22,15-5-3-7-26-15)16-6-4-8-27-16;/h3-8,12-14,17-18,22H,9-11H2,1-2H3;1H/q+1;/p-1/t12-,13+,14-,17+,18-; | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50494454
(CHEMBL3091666)Show SMILES [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(OC)(c1cccs1)c1cccs1 |r| Show InChI InChI=1S/C20H24NO4S2.BrH/c1-21(2)13-10-12(11-14(21)18-17(13)25-18)24-19(22)20(23-3,15-6-4-8-26-15)16-7-5-9-27-16;/h4-9,12-14,17-18H,10-11H2,1-3H3;1H/q+1;/p-1/t12-,13+,14-,17+,18-; | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50494457
(CHEMBL3091668)Show SMILES [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)c1ccccc1 |r| Show InChI InChI=1S/C17H22NO4.BrH/c1-18(2)12-8-11(9-13(18)16-15(12)22-16)21-17(20)14(19)10-6-4-3-5-7-10;/h3-7,11-16,19H,8-9H2,1-2H3;1H/q+1;/p-1/t11-,12+,13-,14?,15+,16-; | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041091
(CHEMBL3355965)Show SMILES CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)n(-c2ccc(cn2)C(O)=O)c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H38Cl2FN5O3/c1-3-29-32(26-8-7-24(37)19-30(26)42(29)31-10-6-23(20-39-31)33(43)44)22-11-14-41(15-12-22)16-13-25(40-34(45)38-4-2)17-21-5-9-27(35)28(36)18-21/h5-10,18-20,22,25H,3-4,11-17H2,1-2H3,(H,43,44)(H2,38,40,45)/t25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041182
(CHEMBL3355940)Show SMILES COC(C)c1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041193
(CHEMBL3355954)Show SMILES CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C31H32F2N6S/c1-2-28-30(21-14-17-38(18-15-21)16-3-19-40-26-11-6-23(32)7-12-26)27-13-8-24(33)20-29(27)39(28)25-9-4-22(5-10-25)31-34-36-37-35-31/h4-13,20-21H,2-3,14-19H2,1H3,(H,34,35,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041185
(CHEMBL3355944)Show SMILES COC(C)c1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041192
(CHEMBL3355953)Show SMILES CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C31H32F2N2O2S/c1-2-28-30(21-14-17-34(18-15-21)16-3-19-38-26-11-6-23(32)7-12-26)27-13-8-24(33)20-29(27)35(28)25-9-4-22(5-10-25)31(36)37/h4-13,20-21H,2-3,14-19H2,1H3,(H,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041198
(CHEMBL3355960)Show SMILES CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1cccc(n1)C(O)=O Show InChI InChI=1S/C30H31F2N3O2S/c1-2-26-29(20-13-16-34(17-14-20)15-4-18-38-23-10-7-21(31)8-11-23)24-12-9-22(32)19-27(24)35(26)28-6-3-5-25(33-28)30(36)37/h3,5-12,19-20H,2,4,13-18H2,1H3,(H,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50494456
(CHEMBL3091669)Show SMILES [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)c1cccs1 |r| Show InChI InChI=1S/C15H20NO4S.BrH/c1-16(2)9-6-8(7-10(16)14-13(9)20-14)19-15(18)12(17)11-4-3-5-21-11;/h3-5,8-10,12-14,17H,6-7H2,1-2H3;1H/q+1;/p-1/t8-,9+,10-,12?,13+,14-; | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay |
J Med Chem 56: 8746-56 (2013)
Article DOI: 10.1021/jm401219y
BindingDB Entry DOI: 10.7270/Q28055J7 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041088
(CHEMBL3355962)Show SMILES CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C30H31F2N3O2S/c1-2-26-29(20-11-15-34(16-12-20)14-3-17-38-24-7-4-22(31)5-8-24)25-9-6-23(32)19-27(25)35(26)28-18-21(30(36)37)10-13-33-28/h4-10,13,18-20H,2-3,11-12,14-17H2,1H3,(H,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041150
(CHEMBL3355932)Show SMILES CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H28F2N2S/c1-2-22-24(21-9-6-19(26)16-23(21)27-22)17-10-13-28(14-11-17)12-3-15-29-20-7-4-18(25)5-8-20/h4-9,16-17,27H,2-3,10-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Probable C-C chemokine receptor type 3
(Mus musculus) | BDBM50041150
(CHEMBL3355932)Show SMILES CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H28F2N2S/c1-2-22-24(21-9-6-19(26)16-23(21)27-22)17-10-13-28(14-11-17)12-3-15-29-20-7-4-18(25)5-8-20/h4-9,16-17,27H,2-3,10-15H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041090
(CHEMBL3355964)Show SMILES CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)[nH]c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041195
(CHEMBL3355956)Show SMILES CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(cn1)C(O)=O Show InChI InChI=1S/C30H31F2N3O2S/c1-2-26-29(20-12-15-34(16-13-20)14-3-17-38-24-8-5-22(31)6-9-24)25-10-7-23(32)18-27(25)35(26)28-11-4-21(19-33-28)30(36)37/h4-11,18-20H,2-3,12-17H2,1H3,(H,36,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Probable C-C chemokine receptor type 3
(Mus musculus) | BDBM50041181
(CHEMBL3355939)Show SMILES OCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H26F2N2OS/c24-17-2-5-19(6-3-17)29-13-1-10-27-11-8-16(9-12-27)23-20-7-4-18(25)14-21(20)26-22(23)15-28/h2-7,14,16,26,28H,1,8-13,15H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Probable C-C chemokine receptor type 3
(Mus musculus) | BDBM50041185
(CHEMBL3355944)Show SMILES COC(C)c1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041203
(CHEMBL3355942)Show SMILES CCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H29FN2S/c1-2-22-24(21-6-3-4-7-23(21)26-22)18-12-15-27(16-13-18)14-5-17-28-20-10-8-19(25)9-11-20/h3-4,6-11,18,26H,2,5,12-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041158
(CHEMBL3355934)Show SMILES CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(C)cc2)CC1 Show InChI InChI=1S/C25H31FN2S/c1-3-23-25(22-10-7-20(26)17-24(22)27-23)19-11-14-28(15-12-19)13-4-16-29-21-8-5-18(2)6-9-21/h5-10,17,19,27H,3-4,11-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041174
(CHEMBL3355938)Show SMILES Cc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H26F2N2S/c1-16-23(21-8-5-19(25)15-22(21)26-16)17-9-12-27(13-10-17)11-2-14-28-20-6-3-18(24)4-7-20/h3-8,15,17,26H,2,9-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041092
(CHEMBL3355966)Show SMILES CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)n(-c2ccc(cn2)C(=O)OC)c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H40Cl2FN5O3/c1-4-30-33(27-9-8-25(38)20-31(27)43(30)32-11-7-24(21-40-32)34(44)46-3)23-12-15-42(16-13-23)17-14-26(41-35(45)39-5-2)18-22-6-10-28(36)29(37)19-22/h6-11,19-21,23,26H,4-5,12-18H2,1-3H3,(H2,39,41,45)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Probable C-C chemokine receptor type 3
(Mus musculus) | BDBM50041174
(CHEMBL3355938)Show SMILES Cc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H26F2N2S/c1-16-23(21-8-5-19(25)15-22(21)26-16)17-9-12-27(13-10-17)11-2-14-28-20-6-3-18(24)4-7-20/h3-8,15,17,26H,2,9-14H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041201
(CHEMBL3355950)Show SMILES CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1C Show InChI InChI=1S/C25H30F2N2S/c1-3-23-25(22-10-7-20(27)17-24(22)28(23)2)18-11-14-29(15-12-18)13-4-16-30-21-8-5-19(26)6-9-21/h5-10,17-18H,3-4,11-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041186
(CHEMBL3355945)Show SMILES CCc1[nH]c2cc(C)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN2S/c1-3-23-25(22-10-5-18(2)17-24(22)27-23)19-11-14-28(15-12-19)13-4-16-29-21-8-6-20(26)7-9-21/h5-10,17,19,27H,3-4,11-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Probable C-C chemokine receptor type 3
(Mus musculus) | BDBM50041186
(CHEMBL3355945)Show SMILES CCc1[nH]c2cc(C)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN2S/c1-3-23-25(22-10-5-18(2)17-24(22)27-23)19-11-14-28(15-12-19)13-4-16-29-21-8-6-20(26)7-9-21/h5-10,17,19,27H,3-4,11-16H2,1-2H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Probable C-C chemokine receptor type 3
(Mus musculus) | BDBM50041182
(CHEMBL3355940)Show SMILES COC(C)c1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041197
(CHEMBL3355959)Show SMILES CCOC(=O)c1ccc(nc1)-n1c(CC)c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C32H35F2N3O2S/c1-3-28-31(22-14-17-36(18-15-22)16-5-19-40-26-10-7-24(33)8-11-26)27-12-9-25(34)20-29(27)37(28)30-13-6-23(21-35-30)32(38)39-4-2/h6-13,20-22H,3-5,14-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041157
(CHEMBL3355933)Show SMILES CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccccc2)CC1 Show InChI InChI=1S/C24H29FN2S/c1-2-22-24(21-10-9-19(25)17-23(21)26-22)18-11-14-27(15-12-18)13-6-16-28-20-7-4-3-5-8-20/h3-5,7-10,17-18,26H,2,6,11-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041199
(CHEMBL3355961)Show SMILES CCOC(=O)c1cccc(n1)-n1c(CC)c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc12 Show InChI InChI=1S/C32H35F2N3O2S/c1-3-28-31(22-15-18-36(19-16-22)17-6-20-40-25-12-9-23(33)10-13-25)26-14-11-24(34)21-29(26)37(28)30-8-5-7-27(35-30)32(38)39-4-2/h5,7-14,21-22H,3-4,6,15-20H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041191
(CHEMBL3355952)Show SMILES CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1CC(O)=O Show InChI InChI=1S/C26H30F2N2O2S/c1-2-23-26(22-9-6-20(28)16-24(22)30(23)17-25(31)32)18-10-13-29(14-11-18)12-3-15-33-21-7-4-19(27)5-8-21/h4-9,16,18H,2-3,10-15,17H2,1H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Probable C-C chemokine receptor type 3
(Mus musculus) | BDBM50041158
(CHEMBL3355934)Show SMILES CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(C)cc2)CC1 Show InChI InChI=1S/C25H31FN2S/c1-3-23-25(22-10-7-20(26)17-24(22)27-23)19-11-14-28(15-12-19)13-4-16-29-21-8-5-18(2)6-9-21/h5-10,17,19,27H,3-4,11-16H2,1-2H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Probable C-C chemokine receptor type 3
(Mus musculus) | BDBM50041090
(CHEMBL3355964)Show SMILES CCNC(=O)N[C@@H](CCN1CCC(CC1)c1c(CC)[nH]c2cc(F)ccc12)Cc1ccc(Cl)c(Cl)c1 |r| | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
Probable C-C chemokine receptor type 3
(Mus musculus) | BDBM50041157
(CHEMBL3355933)Show SMILES CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccccc2)CC1 Show InChI InChI=1S/C24H29FN2S/c1-2-22-24(21-10-9-19(25)17-23(21)26-22)18-11-14-27(15-12-18)13-6-16-28-20-7-4-3-5-8-20/h3-5,7-10,17-18,26H,2,6,11-16H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041184
(CHEMBL3355943)Show SMILES OCc1[nH]c2ccccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1 Show InChI InChI=1S/C23H27FN2OS/c24-18-6-8-19(9-7-18)28-15-3-12-26-13-10-17(11-14-26)23-20-4-1-2-5-21(20)25-22(23)16-27/h1-2,4-9,17,25,27H,3,10-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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Similars
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50041190
(CHEMBL3355951)Show SMILES CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccccc1 Show InChI InChI=1S/C30H32F2N2S/c1-2-28-30(27-14-11-24(32)21-29(27)34(28)25-7-4-3-5-8-25)22-15-18-33(19-16-22)17-6-20-35-26-12-9-23(31)10-13-26/h3-5,7-14,21-22H,2,6,15-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells |
Bioorg Med Chem Lett 25: 229-35 (2014)
Article DOI: 10.1016/j.bmcl.2014.11.063
BindingDB Entry DOI: 10.7270/Q2833TNQ |
More data for this
Ligand-Target Pair | |
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