Found 1453 hits with Last Name = 'gelb' 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 |
|---|
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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432574
(CHEMBL2347169)Show InChI InChI=1S/C13H17FN2S/c14-11-3-4-13-12(8-11)10(9-16-13)2-1-6-17-7-5-15/h3-4,8-9,16H,1-2,5-7,15H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 | |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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)) | 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 | |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432575
(CHEMBL2347168)Show InChI InChI=1S/C12H15FN2S/c13-10-1-2-12-11(7-10)9(8-15-12)3-5-16-6-4-14/h1-2,7-8,15H,3-6,14H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
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 | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403939
(CHEMBL85391)Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C23H23ClN2OS/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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | 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 | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50403948
(CHEMBL82859)Show SMILES COc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H28N2O2/c1-30-25-14-12-23(13-15-25)28(26(29)22-10-6-3-7-11-22)24-16-18-27(19-17-24)20-21-8-4-2-5-9-21/h2-15,24H,16-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | 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 | |
Muscarinic acetylcholine receptor M2
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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
In vitro affinity for muscarinic M2 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50023054
(CHEMBL291091 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-pheny...)Show SMILES CC(C)C[C@H](NC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C46H60F2N6O8/c1-28(2)23-33(38(55)46(47,48)43(60)53-35(24-29(3)4)40(57)51-34(39(49)56)25-30-17-11-8-12-18-30)50-41(58)36(26-31-19-13-9-14-20-31)52-42(59)37(27-32-21-15-10-16-22-32)54-44(61)62-45(5,6)7/h8-22,28-29,33-37H,23-27H2,1-7H3,(H2,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,60)(H,54,61)/t33-,34-,35-,36-,37-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against human kidney renin |
J Med Chem 30: 1617-22 (1987)
BindingDB Entry DOI: 10.7270/Q2RB73KD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.90 | 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 M2 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)) | BDBM50403941
(CHEMBL83459)Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C23H22BrN3O3S/c24-18-6-8-19(9-7-18)26(23(28)21-10-11-22(31-21)27(29)30)20-12-14-25(15-13-20)16-17-4-2-1-3-5-17/h1-11,20H,12-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 7.90 | 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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432580
(CHEMBL2347032)Show InChI InChI=1S/C12H15FN2/c13-11-6-3-5-10-9(4-1-2-7-14)8-15-12(10)11/h3,5-6,8,15H,1-2,4,7,14H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Competitive inhibition of CDK6/cyclin D3 (unknown origin) assessed as phosphorylation of CTRF after 50 mins by Michaelis-Menten plot analysis in pres... |
Bioorg Med Chem Lett 25: 3420-35 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432577
(CHEMBL2347166)Show InChI InChI=1S/C12H15FN2O/c13-10-1-2-12-11(7-10)9(8-15-12)3-4-14-5-6-16/h1-2,7-8,14-16H,3-6H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432567
(CHEMBL2347178)Show InChI InChI=1S/C12H16FN3/c13-9-2-4-12-11(5-9)8(7-16-12)1-3-10(15)6-14/h2,4-5,7,10,16H,1,3,6,14-15H2 | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432570
(CHEMBL2347175)Show InChI InChI=1S/C14H19FN2O2S/c1-3-17(20(2,18)19)8-4-5-11-10-16-14-7-6-12(15)9-13(11)14/h6-7,9-10,16H,3-5,8H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 12 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220556
(CHEMBL83363)Show InChI InChI=1S/C23H28N2O/c26-23(20-10-7-11-20)25(21-12-5-2-6-13-21)22-14-16-24(17-15-22)18-19-8-3-1-4-9-19/h1-6,8-9,12-13,20,22H,7,10-11,14-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | 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 | |
Muscarinic acetylcholine receptor M2
(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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| 20 | 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 M2 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432569
(CHEMBL2347176)Show InChI InChI=1S/C11H13FN2O/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-14-15/h3-4,6-7,13-15H,1-2,5H2 | PDB
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| 20 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(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
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| 20 | 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 M2
(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
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| 20 | 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 M2 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432573
(CHEMBL2347170)Show InChI InChI=1S/C12H15FN2S/c13-11-3-1-2-10-9(8-15-12(10)11)4-6-16-7-5-14/h1-3,8,15H,4-7,14H2 | PDB
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| 24 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432581
(CHEMBL2347030)Show InChI InChI=1S/C11H13FN2/c12-10-5-1-4-9-8(3-2-6-13)7-14-11(9)10/h1,4-5,7,14H,2-3,6,13H2 | PDB
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| 24 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(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
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| 25 | 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 M2 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)) | BDBM50220521
(CHEMBL87302)Show SMILES O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H26N2O/c28-25(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)24-16-18-26(19-17-24)20-21-10-4-1-5-11-21/h1-15,24H,16-20H2 | PDB
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| 25 | 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 | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220523
(CHEMBL88078)Show InChI InChI=1S/C23H24N2OS/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2 | PDB
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| 25 | 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)) | BDBM50220522
(CHEMBL86012)Show SMILES Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H25ClN2O/c26-22-13-11-21(12-14-22)25(29)28(23-9-5-2-6-10-23)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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| 25 | 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)) | BDBM50220555
(CHEMBL86309)Show SMILES O=C(Cc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C26H28N2O/c29-26(20-22-10-4-1-5-11-22)28(24-14-8-3-9-15-24)25-16-18-27(19-17-25)21-23-12-6-2-7-13-23/h1-15,25H,16-21H2 | PDB
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| 25 | 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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432582
(CHEMBL205229)Show InChI InChI=1S/C10H11FN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2 | PDB
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| 29 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220548
(CHEMBL87132)Show SMILES Brc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C25H25BrN2O/c26-22-13-11-21(12-14-22)25(29)28(23-9-5-2-6-10-23)24-15-17-27(18-16-24)19-20-7-3-1-4-8-20/h1-14,24H,15-19H2 | PDB
Reactome pathway
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| 32 | 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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432579
(CHEMBL2347034)Show InChI InChI=1S/C21H24FN3/c22-18-8-9-21-20(15-18)17(16-23-21)5-4-10-24-11-13-25(14-12-24)19-6-2-1-3-7-19/h1-3,6-9,15-16,23H,4-5,10-14H2 | PDB
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| 36 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403939
(CHEMBL85391)Show SMILES Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1 Show InChI InChI=1S/C23H23ClN2OS/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
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| 50 | 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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432578
(CHEMBL2347165)Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2 | PDB
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| 50 | 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
Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3]5-HT uptake |
Eur J Med Chem 123: 746-762 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.053
BindingDB Entry DOI: 10.7270/Q2FQ9ZMZ |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50023050
(CHEMBL40928 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C46H64N6O8/c1-29(2)23-34(39(53)28-40(54)48-36(24-30(3)4)42(56)50-35(41(47)55)25-31-17-11-8-12-18-31)49-43(57)37(26-32-19-13-9-14-20-32)51-44(58)38(27-33-21-15-10-16-22-33)52-45(59)60-46(5,6)7/h8-22,29-30,34-39,53H,23-28H2,1-7H3,(H2,47,55)(H,48,54)(H,49,57)(H,50,56)(H,51,58)(H,52,59)/t34-,35-,36-,37-,38-,39-/m0/s1 | PDB
MMDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against human kidney renin |
J Med Chem 30: 1617-22 (1987)
BindingDB Entry DOI: 10.7270/Q2RB73KD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432578
(CHEMBL2347165)Show InChI InChI=1S/C18H19FN2/c19-16-8-9-18-17(11-16)15(13-21-18)7-4-10-20-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,20-21H,4,7,10,12H2 | PDB
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| 53 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432576
(CHEMBL2347167)Show InChI InChI=1S/C13H17FN2O/c14-11-3-4-13-12(8-11)10(9-16-13)2-1-5-15-6-7-17/h3-4,8-9,15-17H,1-2,5-7H2 | PDB
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| 62 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220549
(CHEMBL85950)Show SMILES O=C(CCc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C27H30N2O/c30-27(17-16-23-10-4-1-5-11-23)29(25-14-8-3-9-15-25)26-18-20-28(21-19-26)22-24-12-6-2-7-13-24/h1-15,26H,16-22H2 | PDB
Reactome pathway
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| 79 | 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 M2
(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
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| 79 | 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)) | BDBM50220551
(CHEMBL310016)Show InChI InChI=1S/C23H24N2O2/c26-23(22-12-7-17-27-22)25(20-10-5-2-6-11-20)21-13-15-24(16-14-21)18-19-8-3-1-4-9-19/h1-12,17,21H,13-16,18H2 | PDB
Reactome pathway
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| 100 | 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 | |
Renin
(Homo sapiens (Human)) | BDBM50023053
(CHEMBL44075 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)C(F)(F)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C46H62F2N6O8/c1-28(2)23-33(38(55)46(47,48)43(60)53-35(24-29(3)4)40(57)51-34(39(49)56)25-30-17-11-8-12-18-30)50-41(58)36(26-31-19-13-9-14-20-31)52-42(59)37(27-32-21-15-10-16-22-32)54-44(61)62-45(5,6)7/h8-22,28-29,33-38,55H,23-27H2,1-7H3,(H2,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,60)(H,54,61)/t33-,34-,35-,36-,37-,38+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against human kidney renin |
J Med Chem 30: 1617-22 (1987)
BindingDB Entry DOI: 10.7270/Q2RB73KD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403948
(CHEMBL82859)Show SMILES COc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H28N2O2/c1-30-25-14-12-23(13-15-25)28(26(29)22-10-6-3-7-11-22)24-16-18-27(19-17-24)20-21-8-4-2-5-9-21/h2-15,24H,16-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 126 | 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 M2 receptor. |
Bioorg Med Chem Lett 12: 2535-9 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5PBW |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50023051
(CHEMBL40514 | {1-[1-(1-{2-[1-(1-Carbamoyl-2-phenyl...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C46H62N6O8/c1-29(2)23-34(39(53)28-40(54)48-36(24-30(3)4)42(56)50-35(41(47)55)25-31-17-11-8-12-18-31)49-43(57)37(26-32-19-13-9-14-20-32)51-44(58)38(27-33-21-15-10-16-22-33)52-45(59)60-46(5,6)7/h8-22,29-30,34-38H,23-28H2,1-7H3,(H2,47,55)(H,48,54)(H,49,57)(H,50,56)(H,51,58)(H,52,59)/t34-,35-,36-,37-,38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory activity against human kidney renin |
J Med Chem 30: 1617-22 (1987)
BindingDB Entry DOI: 10.7270/Q2RB73KD |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50220553
(CHEMBL82850)Show InChI InChI=1S/C20H23BrN2O/c1-16(24)23(19-9-7-18(21)8-10-19)20-11-13-22(14-12-20)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 158 | 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)) | BDBM50220550
(CHEMBL85568)Show SMILES O=C(N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C26H28N2O/c29-26(24-14-8-3-9-15-24)28(21-23-12-6-2-7-13-23)25-16-18-27(19-17-25)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 158 | 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 | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432571
(CHEMBL2346670)Show InChI InChI=1S/C13H17FN2O2S/c1-3-16(19(2,17)18)7-6-10-9-15-13-5-4-11(14)8-12(10)13/h4-5,8-9,15H,3,6-7H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 174 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50432566
(CHEMBL2347179)Show InChI InChI=1S/C12H11FN2/c13-10-4-5-12-11(7-10)9(8-15-12)3-1-2-6-14/h4-5,7-8,15H,1-3H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 184 | 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
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor |
J Med Chem 56: 3943-58 (2013)
Article DOI: 10.1021/jm4001538
BindingDB Entry DOI: 10.7270/Q21C1Z7T |
More data for this
Ligand-Target Pair | |
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