Found 618 hits with Last Name = 'clarke' and Initial = 'p' 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 M4
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| 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+/m1/s1 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 0.00780 | 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]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| 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+/m1/s1 | PDB
Reactome pathway
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CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.00980 | 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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365815
(CHEMBL1956994)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Br)cc4F)nc3c2=O)C1 |r| Show InChI InChI=1S/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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PDB
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| PDB
Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365814
(CHEMBL1956993)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc5ncsc5c4)nc3c2=O)C1 |r| Show InChI InChI=1S/C24H27N5O2S/c1-15(2)28-10-4-5-17(12-28)13-29-16(3)26-20-8-9-22(27-23(20)24(29)30)31-18-6-7-19-21(11-18)32-14-25-19/h6-9,11,14-15,17H,4-5,10,12-13H2,1-3H3/t17-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| 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+/m1/s1 | UniProtKB/SwissProt
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| Article
PubMed
| 0.0130 | 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]-NMS from human recombinant M1 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| 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+/m1/s1 | PDB
UniProtKB/SwissProt
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| Purchase
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PC cid
PC sid
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| Article
PubMed
| 0.0215 | 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]-NMS from human recombinant M2 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| 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+/m1/s1 | Reactome pathway
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PC sid
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| Article
PubMed
| 0.0266 | 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]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50356880
(CHEMBL1915536)Show InChI InChI=1S/C13H24N6/c1-13(2,3)8-16-10-5-11(18-12(14)17-10)19-6-9(7-19)15-4/h5,9,15H,6-8H2,1-4H3,(H3,14,16,17,18) | PDB
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| Article
PubMed
| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at full length human H4R expressed in HEK293 cells assessed as reversal of forskolin-induced cAMP production by CRE-beta-lactamas... |
Bioorg Med Chem Lett 21: 6596-602 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.125
BindingDB Entry DOI: 10.7270/Q20C4W6C |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355612
(CHEMBL1910848)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1ccccc1 Show InChI InChI=1S/C28H32N2O2/c1-27(2,30-20-25(21-30)32-24-16-10-5-11-17-24)18-19-28(26(29)31,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,18-21H2,1-2H3,(H2,29,31) | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365831
(CHEMBL1957010)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Br)cc4F)nc3c2=O)C1 |r| Show InChI InChI=1S/C22H25BrFN5O2/c1-13(2)28-8-4-5-15(11-28)12-29-14(3)26-21-20(22(29)30)27-19(10-25-21)31-18-7-6-16(23)9-17(18)24/h6-7,9-10,13,15H,4-5,8,11-12H2,1-3H3/t15-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| 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+/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.0510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50355612
(CHEMBL1910848)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1ccccc1 Show InChI InChI=1S/C28H32N2O2/c1-27(2,30-20-25(21-30)32-24-16-10-5-11-17-24)18-19-28(26(29)31,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,18-21H2,1-2H3,(H2,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0560 | 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]-NMS from human recombinant M2 receptor expressed in CHO cells after 2 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| 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+/m1/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.0610 | 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]-NMS from human recombinant M2 receptor expressed in CHO cells after 2 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50296345
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10| 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+/m1/s1 | PDB
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PubMed
| 0.0750 | 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]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365822
(CHEMBL1957001)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5ncsc5c4)cc3c2=O)C1 |r| Show InChI InChI=1S/C24H27N5O2S/c1-15(2)28-8-4-5-17(12-28)13-29-16(3)27-21-11-25-23(10-19(21)24(29)30)31-18-6-7-20-22(9-18)32-14-26-20/h6-7,9-11,14-15,17H,4-5,8,12-13H2,1-3H3/t17-/m0/s1 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355612
(CHEMBL1910848)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1ccccc1 Show InChI InChI=1S/C28H32N2O2/c1-27(2,30-20-25(21-30)32-24-16-10-5-11-17-24)18-19-28(26(29)31,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,25H,18-21H2,1-2H3,(H2,29,31) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 0.110 | 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]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50355622
(CHEMBL1910856)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32) | PDB
Reactome pathway
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| Article
PubMed
| 0.115 | 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]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50355622
(CHEMBL1910856)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32) | UniProtKB/SwissProt
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| 0.115 | 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]-NMS from human recombinant M1 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355622
(CHEMBL1910856)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32) | PDB
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| 0.128 | 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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50355622
(CHEMBL1910856)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32) | PDB
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| 0.137 | 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]-NMS from human recombinant M2 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365809
(CHEMBL1956990)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Br)cc4F)cc3c2=O)C1 |r| Show InChI InChI=1S/C23H26BrFN4O2/c1-14(2)28-8-4-5-16(12-28)13-29-15(3)27-22-19(23(29)30)10-18(11-26-22)31-21-7-6-17(24)9-20(21)25/h6-7,9-11,14,16H,4-5,8,12-13H2,1-3H3/t16-/m0/s1 | PDB
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355618
(CHEMBL1910852)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)Oc1ccccc1O |r| Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-20-17-24(21-31)34-26-16-10-9-15-25(26)32)18-19-29(27(30)33,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-16,24,32H,17-21H2,1-2H3,(H2,30,33)/t24-/m0/s1 | PDB
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355631
(CHEMBL1910865)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1F Show InChI InChI=1S/C28H31FN2O3/c1-27(2,31-18-22(19-31)34-24-15-9-14-23(32)25(24)29)16-17-28(26(30)33,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,32H,16-19H2,1-2H3,(H2,30,33) | PDB
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| 0.163 | 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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50355622
(CHEMBL1910856)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32) | Reactome pathway
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| 0.169 | 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]-NMS from human recombinant M5 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355617
(CHEMBL1910851)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)Oc1cccc(O)c1 |r| Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-16-26(21-31)34-25-15-9-14-24(32)20-25)17-18-29(27(30)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,26,32H,16-19,21H2,1-2H3,(H2,30,33)/t26-/m0/s1 | PDB
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| 0.180 | 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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355623
(CHEMBL1910857)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)OCc1cccc(O)c1 Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-26(20-31)34-21-22-10-9-15-25(32)18-22)16-17-29(27(30)33,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,18,26,32H,16-17,19-21H2,1-2H3,(H2,30,33) | PDB
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| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355610
(CHEMBL1237108)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365820
(CHEMBL1956999)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(Cl)cc4F)cc3c2=O)C1 |r| Show InChI InChI=1S/C23H26ClFN4O2/c1-14(2)28-8-4-5-16(12-28)13-29-15(3)27-20-11-26-22(10-18(20)23(29)30)31-21-7-6-17(24)9-19(21)25/h6-7,9-11,14,16H,4-5,8,12-13H2,1-3H3/t16-/m0/s1 | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365812
(CHEMBL1956991)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Cl)cc4F)nc3c2=O)C1 |r| Show InChI InChI=1S/C23H26ClFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1 | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355622
(CHEMBL1910856)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1 Show InChI InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32) | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355616
(CHEMBL1910850)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](C1)Oc1cccc(O)c1 |r| Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-16-26(21-31)34-25-15-9-14-24(32)20-25)17-18-29(27(30)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,26,32H,16-19,21H2,1-2H3,(H2,30,33)/t26-/m1/s1 | PDB
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| 0.201 | 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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355617
(CHEMBL1910851)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)Oc1cccc(O)c1 |r| Show InChI InChI=1S/C29H34N2O3/c1-28(2,31-19-16-26(21-31)34-25-15-9-14-24(32)20-25)17-18-29(27(30)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,26,32H,16-19,21H2,1-2H3,(H2,30,33)/t26-/m0/s1 | PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355610
(CHEMBL1237108)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.213 | 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]-NMS from human recombinant M3 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355628
(CHEMBL1910862)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cc(O)cc(Cl)c1 Show InChI InChI=1S/C28H31ClN2O3/c1-27(2,31-18-25(19-31)34-24-16-22(29)15-23(32)17-24)13-14-28(26(30)33,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15-17,25,32H,13-14,18-19H2,1-2H3,(H2,30,33) | PDB
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| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50319837
(4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-ca...)Show SMILES OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1cccc2ccn(Cc3ccc(cc3)C(F)(F)F)c12 Show InChI InChI=1S/C27H21F3N2O3/c28-27(29,30)21-8-4-17(5-9-21)16-32-15-12-18-2-1-3-22(23(18)32)24(33)31-26(13-14-26)20-10-6-19(7-11-20)25(34)35/h1-12,15H,13-14,16H2,(H,31,33)(H,34,35) | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 20: 3760-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.065
BindingDB Entry DOI: 10.7270/Q20P106K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355614
(CHEMBL1910846)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)Oc1ccccc1 |r| Show InChI InChI=1S/C29H34N2O2/c1-28(2,31-21-18-26(22-31)33-25-16-10-5-11-17-25)19-20-29(27(30)32,23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,18-22H2,1-2H3,(H2,30,32)/t26-/m0/s1 | PDB
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355631
(CHEMBL1910865)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1F Show InChI InChI=1S/C28H31FN2O3/c1-27(2,31-18-22(19-31)34-24-15-9-14-23(32)25(24)29)16-17-28(26(30)33,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,22,32H,16-19H2,1-2H3,(H2,30,33) | PDB
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365828
(CHEMBL1957007)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc5ncsc5c4)nc3c2=O)C1 |r| Show InChI InChI=1S/C23H26N6O2S/c1-14(2)28-8-4-5-16(11-28)12-29-15(3)26-22-21(23(29)30)27-20(10-24-22)31-17-6-7-18-19(9-17)32-13-25-18/h6-7,9-10,13-14,16H,4-5,8,11-12H2,1-3H3/t16-/m0/s1 | PDB
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365830
(CHEMBL1957009)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(cc4)-c4ccccc4)nc3c2=O)C1 |r| Show InChI InChI=1S/C28H31N5O2/c1-19(2)32-15-7-8-21(17-32)18-33-20(3)30-27-26(28(33)34)31-25(16-29-27)35-24-13-11-23(12-14-24)22-9-5-4-6-10-22/h4-6,9-14,16,19,21H,7-8,15,17-18H2,1-3H3/t21-/m0/s1 | PDB
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355611
(CHEMBL1910849)Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(CC1)Oc1ccccc1 Show InChI InChI=1S/C30H36N2O2/c1-29(2,32-22-18-27(19-23-32)34-26-16-10-5-11-17-26)20-21-30(28(31)33,24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,18-23H2,1-2H3,(H2,31,33) | PDB
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a... |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50355610
(CHEMBL1237108)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.290 | 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]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365821
(CHEMBL1957000)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5OCOc5c4)cc3c2=O)C1 |r| Show InChI InChI=1S/C24H28N4O4/c1-15(2)27-8-4-5-17(12-27)13-28-16(3)26-20-11-25-23(10-19(20)24(28)29)32-18-6-7-21-22(9-18)31-14-30-21/h6-7,9-11,15,17H,4-5,8,12-14H2,1-3H3/t17-/m0/s1 | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50319836
(4-(1-(5-chloro-1-(4-(trifluoromethyl)benzyl)-1H-in...)Show SMILES OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(cc3)C(F)(F)F)c12 Show InChI InChI=1S/C27H20ClF3N2O3/c28-21-13-18-9-12-33(15-16-1-5-20(6-2-16)27(29,30)31)23(18)22(14-21)24(34)32-26(10-11-26)19-7-3-17(4-8-19)25(35)36/h1-9,12-14H,10-11,15H2,(H,32,34)(H,35,36) | PDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 20: 3760-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.065
BindingDB Entry DOI: 10.7270/Q20P106K |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50319837
(4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-ca...)Show SMILES OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1cccc2ccn(Cc3ccc(cc3)C(F)(F)F)c12 Show InChI InChI=1S/C27H21F3N2O3/c28-27(29,30)21-8-4-17(5-9-21)16-32-15-12-18-2-1-3-22(23(18)32)24(33)31-26(13-14-26)20-10-6-19(7-11-20)25(34)35/h1-12,15H,13-14,16H2,(H,31,33)(H,34,35) | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting in presence of 10%... |
Bioorg Med Chem Lett 20: 3760-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.065
BindingDB Entry DOI: 10.7270/Q20P106K |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50319840
((S)-4-(1-(1-(3-chloro-5-(trifluoromethoxy)benzyl)-...)Show SMILES C[C@H](NC(=O)c1cccc2ccn(Cc3cc(Cl)cc(OC(F)(F)F)c3)c12)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H20ClF3N2O4/c1-15(17-5-7-19(8-6-17)25(34)35)31-24(33)22-4-2-3-18-9-10-32(23(18)22)14-16-11-20(27)13-21(12-16)36-26(28,29)30/h2-13,15H,14H2,1H3,(H,31,33)(H,34,35)/t15-/m0/s1 | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 20: 3760-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.065
BindingDB Entry DOI: 10.7270/Q20P106K |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50355610
(CHEMBL1237108)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.382 | 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]-NMS from human recombinant M4 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50365818
(CHEMBL1956997)Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(cc4)-c4ccccc4)nc3c2=O)C1 |r| Show InChI InChI=1S/C29H32N4O2/c1-20(2)32-17-7-8-22(18-32)19-33-21(3)30-26-15-16-27(31-28(26)29(33)34)35-25-13-11-24(12-14-25)23-9-5-4-6-10-23/h4-6,9-16,20,22H,7-8,17-19H2,1-3H3/t22-/m0/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosidion Ltd
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting |
Bioorg Med Chem Lett 22: 2271-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50355610
(CHEMBL1237108)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | PDB
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| 0.413 | 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]-NMS from human recombinant M2 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50355610
(CHEMBL1237108)Show SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)| Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1 | UniProtKB/SwissProt
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| 0.433 | 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]-NMS from human recombinant M1 receptor expressed in CHO cells after 24 hrs by filter binding assay |
J Med Chem 54: 6888-904 (2011)
Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50319838
((S)-4-(1-(5-chloro-1-(4-(trifluoromethyl)benzyl)-1...)Show SMILES C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(cc3)C(F)(F)F)c12)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C26H20ClF3N2O3/c1-15(17-4-6-18(7-5-17)25(34)35)31-24(33)22-13-21(27)12-19-10-11-32(23(19)22)14-16-2-8-20(9-3-16)26(28,29)30/h2-13,15H,14H2,1H3,(H,31,33)(H,34,35)/t15-/m0/s1 | PDB
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Canada Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting |
Bioorg Med Chem Lett 20: 3760-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.065
BindingDB Entry DOI: 10.7270/Q20P106K |
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Ligand-Target Pair | |
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