Found 362 hits with Last Name = 'gribble' and Initial = 'ad' 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 |
|---|
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222900
(CHEMBL267062)Show SMILES O=C1N(CCN2CCC(CC2)c2c[nH]c3ccccc23)CCCc2ccccc12 Show InChI InChI=1S/C25H29N3O/c29-25-21-8-2-1-6-19(21)7-5-13-28(25)17-16-27-14-11-20(12-15-27)23-18-26-24-10-4-3-9-22(23)24/h1-4,6,8-10,18,20,26H,5,7,11-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50217828
(CHEMBL413707)Show SMILES Fc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1 Show InChI InChI=1S/C25H30FN3O3S/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222781
(CHEMBL9951)Show SMILES Fc1ccc2n(ccc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C25H28FN3O/c26-21-7-8-24-20(18-21)9-15-29(24)22-10-13-27(14-11-22)16-17-28-12-3-5-19-4-1-2-6-23(19)25(28)30/h1-2,4,6-9,15,18,22H,3,5,10-14,16-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19808
(benzyl N-[(1S)-1-({1-[(2S)-2-{[(benzyloxy)carbonyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H44N4O7/c1-22(2)16-26(35-32(41)43-20-24-12-8-6-9-13-24)30(39)34-27-18-37(19-29(27)38)31(40)28(17-23(3)4)36(5)33(42)44-21-25-14-10-7-11-15-25/h6-15,22-23,26-28H,16-21H2,1-5H3,(H,34,39)(H,35,41)/t26-,27?,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | -52.1 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK
| Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... |
J Med Chem 44: 725-36 (2001)
Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50217831
(CHEMBL430706)Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C27H32N4O2S/c32-34(33,23-8-7-21-9-13-28-27(21)18-23)31-14-3-4-22(31)12-17-30-15-10-20(11-16-30)25-19-29-26-6-2-1-5-24(25)26/h1-2,5-9,13,18-20,22,28-29H,3-4,10-12,14-17H2/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.676 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50217829
(CHEMBL115262)Show SMILES Oc1nc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 Show InChI InChI=1S/C26H31N5O3S/c32-26-28-23-5-1-2-6-25(23)31(26)21-11-16-29(17-12-21)15-10-20-4-3-14-30(20)35(33,34)22-8-7-19-9-13-27-24(19)18-22/h1-2,5-9,13,18,20-21,27H,3-4,10-12,14-17H2,(H,28,32)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50217832
(CHEMBL116292)Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 Show InChI InChI=1S/C26H30ClN3O3S/c27-22-6-3-20(4-7-22)26(31)21-10-15-29(16-11-21)17-12-23-2-1-14-30(23)34(32,33)24-8-5-19-9-13-28-25(19)18-24/h3-9,13,18,21,23,28H,1-2,10-12,14-17H2/t23-/m1/s1 | 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50217835
(CHEMBL114345)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 Show InChI InChI=1S/C26H30FN3O3S/c27-22-6-3-20(4-7-22)26(31)21-10-15-29(16-11-21)17-12-23-2-1-14-30(23)34(32,33)24-8-5-19-9-13-28-25(19)18-24/h3-9,13,18,21,23,28H,1-2,10-12,14-17H2/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50098551
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r| Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50217831
(CHEMBL430706)Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C27H32N4O2S/c32-34(33,23-8-7-21-9-13-28-27(21)18-23)31-14-3-4-22(31)12-17-30-15-10-20(11-16-30)25-19-29-26-6-2-1-5-24(25)26/h1-2,5-9,13,18-20,22,28-29H,3-4,10-12,14-17H2/t22-/m1/s1 | UniProtKB/SwissProt
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity towards Alpha-1B adrenergic receptor |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19813
(benzyl N-[(2S)-4-methyl-1-{3-[(2S)-4-methyl-2-(qui...)Show SMILES CC(C)C[C@@H](CN1CC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3cccnc3c2)C(=O)C1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H43N5O5/c1-22(2)15-27(36-34(43)44-21-24-9-6-5-7-10-24)18-39-19-30(31(40)20-39)38-33(42)29(16-23(3)4)37-32(41)26-13-12-25-11-8-14-35-28(25)17-26/h5-14,17,22-23,27,29-30H,15-16,18-21H2,1-4H3,(H,36,43)(H,37,41)(H,38,42)/t27-,29-,30?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | -49.7 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK
| Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... |
J Med Chem 44: 725-36 (2001)
Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50222900
(CHEMBL267062)Show SMILES O=C1N(CCN2CCC(CC2)c2c[nH]c3ccccc23)CCCc2ccccc12 Show InChI InChI=1S/C25H29N3O/c29-25-21-8-2-1-6-19(21)7-5-13-28(25)17-16-27-14-11-20(12-15-27)23-18-26-24-10-4-3-9-22(23)24/h1-4,6,8-10,18,20,26H,5,7,11-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222777
(CHEMBL9616)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCN2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H27FN2O2/c25-21-9-7-19(8-10-21)23(28)20-11-14-26(15-12-20)16-17-27-13-3-5-18-4-1-2-6-22(18)24(27)29/h1-2,4,6-10,20H,3,5,11-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50217825
(CHEMBL323778)Show SMILES O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 Show InChI InChI=1S/C26H30N4O4S/c31-26-30(24-5-1-2-6-25(24)34-26)21-11-16-28(17-12-21)15-10-20-4-3-14-29(20)35(32,33)22-8-7-19-9-13-27-23(19)18-22/h1-2,5-9,13,18,20-21,27H,3-4,10-12,14-17H2/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19811
(benzyl N-[(1S)-1-({1-[(2S)-2-{[(benzyloxy)carbonyl...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H46N4O7/c1-23(2)18-28(36-33(42)44-21-25-12-8-6-9-13-25)31(40)35-27-16-17-38(20-30(27)39)32(41)29(19-24(3)4)37(5)34(43)45-22-26-14-10-7-11-15-26/h6-15,23-24,27-29H,16-22H2,1-5H3,(H,35,40)(H,36,42)/t27?,28-,29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | -49.3 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK
| Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... |
J Med Chem 44: 725-36 (2001)
Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222899
(CHEMBL9347)Show SMILES Fc1ccc2n(nnc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C23H26FN5O/c24-18-7-8-22-21(16-18)25-26-29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2 | 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50130261
(6-(2-{2-[4-(4-Chloro-phenoxy)-piperidin-1-yl]-ethy...)Show SMILES Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1 Show InChI InChI=1S/C25H30ClN3O3S/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2/t21-/m1/s1 | 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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Compound was tested for its binding affinity in 5-hydroxytryptamine 7 receptor (using human cloned receptors in HEK 293 and [3H]5-CT as a radioligand... |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50125260
(2-{2-[4-(5-Fluoro-2-oxo-2,3-dihydro-benzoimidazol-...)Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C24H27FN4O2/c25-18-7-8-22-21(16-18)26-24(31)29(22)19-9-12-27(13-10-19)14-15-28-11-3-5-17-4-1-2-6-20(17)23(28)30/h1-2,4,6-8,16,19H,3,5,9-15H2,(H,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19807
(CHEMBL100563 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 2.30 | -48.8 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK
| Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... |
J Med Chem 44: 725-36 (2001)
Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50130297
(6-{(R)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrro...)Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1 Show InChI InChI=1S/C20H29N3O2S/c1-16-7-12-22(13-8-16)14-9-18-3-2-11-23(18)26(24,25)19-5-4-17-6-10-21-20(17)15-19/h4-6,10,15-16,18,21H,2-3,7-9,11-14H2,1H3/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222780
(CHEMBL275343)Show SMILES Clc1ccc(cc1)C(=O)C1CCN(CCN2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H27ClN2O2/c25-21-9-7-19(8-10-21)23(28)20-11-14-26(15-12-20)16-17-27-13-3-5-18-4-1-2-6-22(18)24(27)29/h1-2,4,6-10,20H,3,5,11-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19810
(CHEMBL118449 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H44N4O7/c1-22(2)17-27(35-32(41)43-20-24-11-7-5-8-12-24)30(39)34-26-15-16-37(19-29(26)38)31(40)28(18-23(3)4)36-33(42)44-21-25-13-9-6-10-14-25/h5-14,22-23,26-28H,15-21H2,1-4H3,(H,34,39)(H,35,41)(H,36,42)/t26?,27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | -48.5 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK
| Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... |
J Med Chem 44: 725-36 (2001)
Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222894
(CHEMBL9952)Show SMILES O=C1N(CCN2CCC(CC2)n2ccc3ccccc23)CCCc2ccccc12 Show InChI InChI=1S/C25H29N3O/c29-25-23-9-3-1-6-20(23)8-5-14-27(25)19-18-26-15-12-22(13-16-26)28-17-11-21-7-2-4-10-24(21)28/h1-4,6-7,9-11,17,22H,5,8,12-16,18-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50091438
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 1F receptor was determined |
Bioorg Med Chem Lett 11: 2177-80 (2001)
BindingDB Entry DOI: 10.7270/Q2BP023S |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222778
(CHEMBL275451)Show InChI InChI=1S/C23H27FN2O2/c24-19-7-9-20(10-8-19)28-21-11-14-25(15-12-21)16-17-26-13-3-5-18-4-1-2-6-22(18)23(26)27/h1-2,4,6-10,21H,3,5,11-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50091438
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 1E receptor was determined |
Bioorg Med Chem Lett 11: 2177-80 (2001)
BindingDB Entry DOI: 10.7270/Q2BP023S |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50217833
(CHEMBL331803)Show SMILES O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1cc2ccccc2[nH]1)c1ccc2cc[nH]c2c1 Show InChI InChI=1S/C27H32N4O2S/c32-34(33,24-8-7-20-9-13-28-26(20)19-24)31-14-3-5-23(31)12-17-30-15-10-21(11-16-30)27-18-22-4-1-2-6-25(22)29-27/h1-2,4,6-9,13,18-19,21,23,28-29H,3,5,10-12,14-17H2/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50217837
(CHEMBL111922)Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3c[nH]nc3c2)CC1 Show InChI InChI=1S/C19H28N4O2S/c1-15-6-10-22(11-7-15)12-8-17-3-2-9-23(17)26(24,25)18-5-4-16-14-20-21-19(16)13-18/h4-5,13-15,17H,2-3,6-12H2,1H3,(H,20,21)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50217827
(CHEMBL112876)Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3[nH]cnc3c2)CC1 Show InChI InChI=1S/C19H28N4O2S/c1-15-6-10-22(11-7-15)12-8-16-3-2-9-23(16)26(24,25)17-4-5-18-19(13-17)21-14-20-18/h4-5,13-16H,2-3,6-12H2,1H3,(H,20,21)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 using [3H]5-CT as a radioligand |
Bioorg Med Chem Lett 12: 3341-4 (2002)
BindingDB Entry DOI: 10.7270/Q2FT8P7C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222897
(CHEMBL9446)Show SMILES Fc1ccc2N(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)C(=O)Cc2c1 Show InChI InChI=1S/C25H28FN3O2/c26-20-7-8-23-19(16-20)17-24(30)29(23)21-9-12-27(13-10-21)14-15-28-11-3-5-18-4-1-2-6-22(18)25(28)31/h1-2,4,6-8,16,21H,3,5,9-15,17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50222781
(CHEMBL9951)Show SMILES Fc1ccc2n(ccc2c1)C1CCN(CCN2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C25H28FN3O/c26-21-7-8-24-20(18-21)9-15-29(24)22-10-13-27(14-11-22)16-17-28-12-3-5-19-4-1-2-6-23(19)25(28)30/h1-2,4,6-9,15,18,22H,3,5,10-14,16-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 2A receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096393
(Benzo[b]thiophene-2-carboxylic acid [(S)-3-methyl-...)Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCC1=O Show InChI InChI=1S/C19H22N2O4S/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14-/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 |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50091438
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+ | 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 |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for Dopamine receptor D3 was determined |
Bioorg Med Chem Lett 11: 2177-80 (2001)
BindingDB Entry DOI: 10.7270/Q2BP023S |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM19810
(CHEMBL118449 | benzyl N-[(1S)-1-({1-[(2S)-2-{[(ben...)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H44N4O7/c1-22(2)17-27(35-32(41)43-20-24-11-7-5-8-12-24)30(39)34-26-15-16-37(19-29(26)38)31(40)28(18-23(3)4)36-33(42)44-21-25-13-9-6-10-14-25/h5-14,22-23,26-28H,15-21H2,1-4H3,(H,34,39)(H,35,41)(H,36,42)/t26?,27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
GSK
| Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... |
J Med Chem 44: 725-36 (2001)
Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222782
(CHEMBL9770)Show InChI InChI=1S/C24H30N2O2/c1-19-8-10-21(11-9-19)28-22-12-15-25(16-13-22)17-18-26-14-4-6-20-5-2-3-7-23(20)24(26)27/h2-3,5,7-11,22H,4,6,12-18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222893
(CHEMBL9250)Show SMILES Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)oc2c1 Show InChI InChI=1S/C24H26FN3O3/c25-18-7-8-21-22(16-18)31-24(30)28(21)19-9-12-26(13-10-19)14-15-27-11-3-5-17-4-1-2-6-20(17)23(27)29/h1-2,4,6-8,16,19H,3,5,9-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222784
(CHEMBL273872)Show SMILES Oc1nc2ccccc2n1C1CCN(CCN2CCCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C24H28N4O2/c29-23-20-8-2-1-6-18(20)7-5-13-27(23)17-16-26-14-11-19(12-15-26)28-22-10-4-3-9-21(22)25-24(28)30/h1-4,6,8-10,19H,5,7,11-17H2,(H,25,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096392
((S)-2-[2-(3,4-Dimethoxy-phenyl)-acetylamino]-4-met...)Show SMILES COc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)NC2CCOCC2=O)cc1OC Show InChI InChI=1S/C21H30N2O6/c1-13(2)9-16(21(26)23-15-7-8-29-12-17(15)24)22-20(25)11-14-5-6-18(27-3)19(10-14)28-4/h5-6,10,13,15-16H,7-9,11-12H2,1-4H3,(H,22,25)(H,23,26)/t15?,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096392
((S)-2-[2-(3,4-Dimethoxy-phenyl)-acetylamino]-4-met...)Show SMILES COc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)NC2CCOCC2=O)cc1OC Show InChI InChI=1S/C21H30N2O6/c1-13(2)9-16(21(26)23-15-7-8-29-12-17(15)24)22-20(25)11-14-5-6-18(27-3)19(10-14)28-4/h5-6,10,13,15-16H,7-9,11-12H2,1-4H3,(H,22,25)(H,23,26)/t15?,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222890
(CHEMBL9840)Show InChI InChI=1S/C24H29NO2/c1-27-24-9-5-4-8-22(24)20-12-14-25(15-13-20)17-18-10-11-19-6-2-3-7-21(19)23(26)16-18/h2-9,18,20H,10-17H2,1H3 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222779
(CHEMBL269400)Show InChI InChI=1S/C25H31NO2/c1-19-7-2-5-12-24(19)28-22-14-17-26(18-15-22)16-13-21-10-6-9-20-8-3-4-11-23(20)25(21)27/h2-5,7-8,11-12,21-22H,6,9-10,13-18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096383
(Benzo[b]thiophene-2-carboxylic acid [(S)-3-methyl-...)Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C19H22N2O4S/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19815
((2S)-2-(1-benzothiophen-2-ylformamido)-4-methyl-N-...)Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1CCOCC1=O |r| Show InChI InChI=1S/C20H24N2O4S/c1-12(2)9-15(19(24)21-14-7-8-26-11-16(14)23)22-20(25)18-10-13-5-3-4-6-17(13)27-18/h3-6,10,12,14-15H,7-9,11H2,1-2H3,(H,21,24)(H,22,25)/t14?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | -45.0 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK
| Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... |
J Med Chem 44: 725-36 (2001)
Article DOI: 10.1021/jm000320t
BindingDB Entry DOI: 10.7270/Q2J67F6C |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096383
(Benzo[b]thiophene-2-carboxylic acid [(S)-3-methyl-...)Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCC1=O Show InChI InChI=1S/C19H22N2O4S/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against human cysteine protease, cathepsin K. |
Bioorg Med Chem Lett 11: 195-8 (2001)
BindingDB Entry DOI: 10.7270/Q2ZP45CQ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222889
(CHEMBL429202)Show InChI InChI=1S/C23H27ClN2O2/c24-19-7-9-20(10-8-19)28-21-11-14-25(15-12-21)16-17-26-13-3-5-18-4-1-2-6-22(18)23(26)27/h1-2,4,6-10,21H,3,5,11-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50091438
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for 5-hydroxytryptamine 1B receptor was determined |
Bioorg Med Chem Lett 11: 2177-80 (2001)
BindingDB Entry DOI: 10.7270/Q2BP023S |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096397
(CHEMBL293694 | Naphthalene-2-carboxylic acid [(S)-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1COCC1=O Show InChI InChI=1S/C21H24N2O4/c1-13(2)9-17(21(26)23-18-11-27-12-19(18)24)22-20(25)16-8-7-14-5-3-4-6-15(14)10-16/h3-8,10,13,17-18H,9,11-12H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50222896
(CHEMBL275475)Show SMILES O=C1N(CCN2CCC(CC2)n2nnc3ccccc23)CCCc2ccccc12 Show InChI InChI=1S/C23H27N5O/c29-23-20-8-2-1-6-18(20)7-5-13-27(23)17-16-26-14-11-19(12-15-26)28-22-10-4-3-9-21(22)24-25-28/h1-4,6,8-10,19H,5,7,11-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity at human cloned 5-hydroxytryptamine 7 receptor. |
Bioorg Med Chem Lett 13: 1055-8 (2003)
BindingDB Entry DOI: 10.7270/Q2X066D4 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096371
(4-tert-Butyl-N-[(S)-3-methyl-1-(4-oxo-tetrahydro-f...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)NC1COCC1=O Show InChI InChI=1S/C21H30N2O4/c1-13(2)10-16(20(26)23-17-11-27-12-18(17)24)22-19(25)14-6-8-15(9-7-14)21(3,4)5/h6-9,13,16-17H,10-12H2,1-5H3,(H,22,25)(H,23,26)/t16-,17?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against human cysteine protease, cathepsin K. |
Bioorg Med Chem Lett 11: 195-8 (2001)
BindingDB Entry DOI: 10.7270/Q2ZP45CQ |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50096396
(CHEMBL292937 | Quinoline-2-carboxylic acid [(S)-3-...)Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1COCC1=O Show InChI InChI=1S/C20H23N3O4/c1-12(2)9-16(20(26)23-17-10-27-11-18(17)24)22-19(25)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16-17H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin K |
Bioorg Med Chem Lett 11: 199-202 (2001)
BindingDB Entry DOI: 10.7270/Q2TX3DMJ |
More data for this
Ligand-Target Pair | |
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