Found 334 hits with Last Name = 'gillard' and Initial = 'm' 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 |
|---|
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50017721
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3 | PDB
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| DrugBank
Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 224: 489-95 (1994)
Article DOI: 10.1111/j.1432-1033.1994.00489.x
BindingDB Entry DOI: 10.7270/Q2H70DB4 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50017721
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3 | UniProtKB/SwissProt
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 224: 489-95 (1994)
Article DOI: 10.1111/j.1432-1033.1994.00489.x
BindingDB Entry DOI: 10.7270/Q2H70DB4 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | UniProtKB/SwissProt
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 224: 489-95 (1994)
Article DOI: 10.1111/j.1432-1033.1994.00489.x
BindingDB Entry DOI: 10.7270/Q2H70DB4 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM22541
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19) | PDB
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| 0.339 | -54.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
VU University Amsterdam
| Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count... |
J Med Chem 51: 2944-53 (2008)
Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM22542
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12) | PDB
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| 0.407 | -53.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
VU University Amsterdam
| Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count... |
J Med Chem 51: 2944-53 (2008)
Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | UniProtKB/SwissProt
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 224: 489-95 (1994)
Article DOI: 10.1111/j.1432-1033.1994.00489.x
BindingDB Entry DOI: 10.7270/Q2H70DB4 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403947
(CHEMBL85996)Show SMILES Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C25H24BrClN2O/c26-21-8-12-23(13-9-21)29(25(30)20-6-10-22(27)11-7-20)24-14-16-28(17-15-24)18-19-4-2-1-3-5-19/h1-13,24H,14-18H2 | PDB
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| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Libre de Bruxelles
Curated by PDSP Ki Database
| |
J Recept Signal Transduct Res 15: 91-102 (1995)
Article DOI: 10.3109/10799899509045210
BindingDB Entry DOI: 10.7270/Q2PZ57BR |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 224: 489-95 (1994)
Article DOI: 10.1111/j.1432-1033.1994.00489.x
BindingDB Entry DOI: 10.7270/Q2H70DB4 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000240
(CHEMBL435796)Show SMILES Cc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O/c1-15-4-2-3-5-19(15)20(30-8-6-29-7-9-30)14-31-13-16-10-17(21(23,24)25)12-18(11-16)22(26,27)28/h2-5,10-12,20,29H,6-9,13-14H2,1H3 | PDB
MMDB
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| CHEMBL
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421552
(CHEMBL108200)Show SMILES COc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O2/c1-31-19-4-2-3-16(11-19)20(30-7-5-29-6-8-30)14-32-13-15-9-17(21(23,24)25)12-18(10-15)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3 | PDB
MMDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM22548
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...)Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6| Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19) | PDB
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| 1 | -51.4 | n/a | n/a | 2 | n/a | n/a | 7.4 | 25 |
VU University Amsterdam
| Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count... |
J Med Chem 51: 2944-53 (2008)
Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22875
(2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...)Show InChI InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by PDSP Ki Database
| |
Mol Pharmacol 61: 391-9 (2002)
Article DOI: 10.1124/mol.61.2.391
BindingDB Entry DOI: 10.7270/Q2D50KJ8 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403940
(CHEMBL85892)Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25BrN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2 | PDB
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PC sid
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM22567
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 | UniProtKB/SwissProt
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| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 224: 489-95 (1994)
Article DOI: 10.1111/j.1432-1033.1994.00489.x
BindingDB Entry DOI: 10.7270/Q2H70DB4 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000252
(CHEMBL136347)Show SMILES C[C@H](OC[C@@H](N1CCN(CC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H26F6N2O3/c1-16(18-11-19(23(25,26)27)13-20(12-18)24(28,29)30)35-15-21(17-5-3-2-4-6-17)32-9-7-31(8-10-32)14-22(33)34/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,33,34)/t16-,21+/m0/s1 | PDB
MMDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403944
(CHEMBL84993)Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25ClN2O/c26-22-11-13-23(14-12-22)28(25(29)21-9-5-2-6-10-21)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
In vitro affinity for muscarinic M3 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50209328
(1-(2-cyclopropyl-5-methyl-6-(pyrrolidin-1-yl)pyrim...)Show InChI InChI=1S/C18H28N4/c1-14-17(21-10-4-2-3-5-11-21)19-16(15-8-9-15)20-18(14)22-12-6-7-13-22/h15H,2-13H2,1H3 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 3077-80 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.047
BindingDB Entry DOI: 10.7270/Q2PR7VNX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000241
(CHEMBL138824)Show SMILES C[C@H](OC[C@@H](N1CCN(CCOCC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H30F6N2O4/c1-18(20-13-21(25(27,28)29)15-22(14-20)26(30,31)32)38-16-23(19-5-3-2-4-6-19)34-9-7-33(8-10-34)11-12-37-17-24(35)36/h2-6,13-15,18,23H,7-12,16-17H2,1H3,(H,35,36)/t18-,23+/m0/s1 | PDB
MMDB
Reactome pathway
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PC sid
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Similars
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421561
(CHEMBL419742)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(Cl)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21ClF6N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2 | PDB
MMDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000238
(CHEMBL336305)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(C=C)c2C=C)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O/c1-3-18-6-5-7-22(21(18)4-2)23(33-10-8-32-9-11-33)16-34-15-17-12-19(24(26,27)28)14-20(13-17)25(29,30)31/h3-7,12-14,23,32H,1-2,8-11,15-16H2 | PDB
MMDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000236
(CHEMBL140080)Show SMILES CN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C22H24F6N2O/c1-29-7-9-30(10-8-29)20(17-5-3-2-4-6-17)15-31-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13,20H,7-10,14-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403945
(CHEMBL314831)Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)C1CCC1 Show InChI InChI=1S/C23H27BrN2O/c24-20-9-11-21(12-10-20)26(23(27)19-7-4-8-19)22-13-15-25(16-14-22)17-18-5-2-1-3-6-18/h1-3,5-6,9-12,19,22H,4,7-8,13-17H2 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421562
(CHEMBL108889)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2Cl)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21ClF6N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,5-8,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421567
(CHEMBL109937)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H22F6N2O/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-30-14-19(16-4-2-1-3-5-16)29-8-6-28-7-9-29/h1-5,10-12,19,28H,6-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22875
(2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...)Show InChI InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2 | PDB
Reactome pathway
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| DrugBank
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by PDSP Ki Database
| |
Mol Pharmacol 61: 391-9 (2002)
Article DOI: 10.1124/mol.61.2.391
BindingDB Entry DOI: 10.7270/Q2D50KJ8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000239
(CHEMBL342266)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(Cc3ccccn3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H27F6N3O/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-37-19-25(21-6-2-1-3-7-21)36-12-10-35(11-13-36)17-24-8-4-5-9-34-24/h1-9,14-16,25H,10-13,17-19H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403942
(CHEMBL310132)Show SMILES Clc1ccc(cc1Cl)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H24Cl2N2O/c26-23-12-11-22(17-24(23)27)29(25(30)20-9-5-2-6-10-20)21-13-15-28(16-14-21)18-19-7-3-1-4-8-19/h1-12,17,21H,13-16,18H2 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403943
(CHEMBL82512)Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C23H23BrN2OS/c24-19-8-10-20(11-9-19)26(23(27)22-7-4-16-28-22)21-12-14-25(15-13-21)17-18-5-2-1-3-6-18/h1-11,16,21H,12-15,17H2 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig urinary bladder |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM22538
(4-Benzyl-1H-imidazole derivative, 19 | 4-{[3-(2-ph...)Show InChI InChI=1S/C18H14N2/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(11-16)12-18-13-19-14-20-18/h1-8,11,13-14H,12H2,(H,19,20) | PDB
Reactome pathway
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PubMed
| 2 | -49.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
VU University Amsterdam
| Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count... |
J Med Chem 51: 2944-53 (2008)
Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22879
((1R)-1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylm...)Show SMILES CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3/t30-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by PDSP Ki Database
| |
Mol Pharmacol 61: 391-9 (2002)
Article DOI: 10.1124/mol.61.2.391
BindingDB Entry DOI: 10.7270/Q2D50KJ8 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000248
(CHEMBL139750)Show SMILES OCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H26F6N2O2/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-33-16-21(18-4-2-1-3-5-18)31-8-6-30(7-9-31)10-11-32/h1-5,12-14,21,32H,6-11,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000255
(CHEMBL139088)Show SMILES Fc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C21H21F7N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000243
(CHEMBL423913)Show SMILES C[C@H](OC[C@H](N1CCN(CCOCC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H30F6N2O4/c1-18(20-13-21(25(27,28)29)15-22(14-20)26(30,31)32)38-16-23(19-5-3-2-4-6-19)34-9-7-33(8-10-34)11-12-37-17-24(35)36/h2-6,13-15,18,23H,7-12,16-17H2,1H3,(H,35,36)/t18-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403946
(CHEMBL83982)Show SMILES Oc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H26N2O2/c28-24-13-11-22(12-14-24)27(25(29)21-9-5-2-6-10-21)23-15-17-26(18-16-23)19-20-7-3-1-4-8-20/h1-14,23,28H,15-19H2 | PDB
Reactome pathway
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PC sid
UniChem
Similars
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Antagonism of Muscarinic M3 receptors as displacement of concentration response curve of carbachol on isolated guinea-pig ileum |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000221
(CHEMBL336251)Show SMILES CCCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C25H30F6N2O/c1-2-3-9-32-10-12-33(13-11-32)23(20-7-5-4-6-8-20)18-34-17-19-14-21(24(26,27)28)16-22(15-19)25(29,30)31/h4-8,14-16,23H,2-3,9-13,17-18H2,1H3 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | PDB
Reactome pathway
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| DrugBank
Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Libre de Bruxelles
Curated by PDSP Ki Database
| |
J Recept Signal Transduct Res 15: 91-102 (1995)
Article DOI: 10.3109/10799899509045210
BindingDB Entry DOI: 10.7270/Q2PZ57BR |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | PDB
Reactome pathway
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| DrugBank
Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Libre de Bruxelles
Curated by PDSP Ki Database
| |
Eur J Biochem 224: 489-95 (1994)
Article DOI: 10.1111/j.1432-1033.1994.00489.x
BindingDB Entry DOI: 10.7270/Q2H70DB4 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM81466
(CAS_23095-76-3 | NSC_6445134 | l-Chlorpheniramine)Show InChI InChI=1S/C10H7ClO4/c11-7-1-3-8(4-2-7)15-10(14)6-5-9(12)13/h1-6H,(H,12,13) | PDB
Reactome pathway
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| PC cid
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| Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by PDSP Ki Database
| |
Mol Pharmacol 61: 391-9 (2002)
Article DOI: 10.1124/mol.61.2.391
BindingDB Entry DOI: 10.7270/Q2D50KJ8 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM22540
(4-Benzyl-1H-imidazole derivative, 21 | 4-{[3-(pent...)Show InChI InChI=1S/C15H16N2/c1-2-3-4-6-13-7-5-8-14(9-13)10-15-11-16-12-17-15/h5,7-9,11-12H,2-3,10H2,1H3,(H,16,17) | PDB
Reactome pathway
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PubMed
| 3 | -48.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
VU University Amsterdam
| Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count... |
J Med Chem 51: 2944-53 (2008)
Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM85029
(Cetirizine (+) isomer)Show SMILES OC(=O)COCCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1 | PDB
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| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Libre de Bruxelles
Curated by PDSP Ki Database
| |
J Recept Signal Transduct Res 15: 91-102 (1995)
Article DOI: 10.3109/10799899509045210
BindingDB Entry DOI: 10.7270/Q2PZ57BR |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22890
(2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-...)Show SMILES OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) | PDB
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| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB S.A.
Curated by PDSP Ki Database
| |
Mol Pharmacol 61: 391-9 (2002)
Article DOI: 10.1124/mol.61.2.391
BindingDB Entry DOI: 10.7270/Q2D50KJ8 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22879
((1R)-1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylm...)Show SMILES CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3/t30-/m1/s1 | PDB
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| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Libre de Bruxelles
Curated by PDSP Ki Database
| |
J Recept Signal Transduct Res 15: 91-102 (1995)
Article DOI: 10.3109/10799899509045210
BindingDB Entry DOI: 10.7270/Q2PZ57BR |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000233
(CHEMBL136360)Show SMILES Cc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O/c1-15-3-2-4-17(9-15)20(30-7-5-29-6-8-30)14-31-13-16-10-18(21(23,24)25)12-19(11-16)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000250
(CHEMBL337789)Show SMILES NC(=O)COCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C25H29F6N3O3/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)15-37-16-22(19-4-2-1-3-5-19)34-8-6-33(7-9-34)10-11-36-17-23(32)35/h1-5,12-14,22H,6-11,15-17H2,(H2,32,35) | PDB
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UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000228
(CHEMBL136504)Show InChI InChI=1S/C19H22Cl2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50181089
(6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidi...)Show InChI InChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20) | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma S.A.
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 3077-80 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.047
BindingDB Entry DOI: 10.7270/Q2PR7VNX |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000242
(CHEMBL342443)Show SMILES C[C@H](OC[C@H](N1CCN(CC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H26F6N2O3/c1-16(18-11-19(23(25,26)27)13-20(12-18)24(28,29)30)35-15-21(17-5-3-2-4-6-17)32-9-7-31(8-10-32)14-22(33)34/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,33,34)/t16-,21-/m0/s1 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50181089
(6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidi...)Show InChI InChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20) | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells |
Bioorg Med Chem Lett 16: 1834-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421554
(CHEMBL107875)Show SMILES Fc1cccc(C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N2CCNCC2)c1F Show InChI InChI=1S/C21H20F8N2O/c22-17-3-1-2-16(19(17)23)18(31-6-4-30-5-7-31)12-32-11-13-8-14(20(24,25)26)10-15(9-13)21(27,28)29/h1-3,8-10,18,30H,4-7,11-12H2 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
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