new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 560 hits with Last Name = 'kolczewski' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371462
PNG
(CHEMBL258075)
Show SMILES CC(C)Oc1cccc2C(C)NC(N)=Nc12 |c:13|
Show InChI InChI=1S/C12H17N3O/c1-7(2)16-10-6-4-5-9-8(3)14-12(13)15-11(9)10/h4-8H,1-3H3,(H3,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181073
PNG
(2-(3-chloro-benzyloxy)-6-methyl-isonicotinonitrile...)
Show SMILES Cc1cc(cc(OCc2cccc(Cl)c2)n1)C#N
Show InChI InChI=1S/C14H11ClN2O/c1-10-5-12(8-16)7-14(17-10)18-9-11-3-2-4-13(15)6-11/h2-7H,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
HTR5A


(RAT)
BDBM50371998
PNG
(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371998
PNG
(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371981
PNG
(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371464
PNG
(CHEMBL273170)
Show SMILES CC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:4|
Show InChI InChI=1S/C9H9Cl2N3/c1-4-7-6(14-9(12)13-4)3-2-5(10)8(7)11/h2-4H,1H3,(H3,12,13,14)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371459
PNG
(CHEMBL272781)
Show SMILES CC1NC(N)=Nc2c(Cl)ccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H9Cl2N3/c1-4-7-5(10)2-3-6(11)8(7)14-9(12)13-4/h2-4H,1H3,(H3,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371461
PNG
(CHEMBL402179)
Show SMILES CNC1=Nc2c(OC(C)C)cccc2C(C)N1 |t:2|
Show InChI InChI=1S/C13H19N3O/c1-8(2)17-11-7-5-6-10-9(3)15-13(14-4)16-12(10)11/h5-9H,1-4H3,(H2,14,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371460
PNG
(CHEMBL401745)
Show SMILES COc1cc(Cl)c(C)c2C(C)NC(N)=Nc12 |c:13|
Show InChI InChI=1S/C11H14ClN3O/c1-5-7(12)4-8(16-3)10-9(5)6(2)14-11(13)15-10/h4,6H,1-3H3,(H3,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50371981
PNG
(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
HTR5A


(RAT)
BDBM50371996
PNG
(CHEMBL541993)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rat 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371980
PNG
(CHEMBL446459)
Show SMILES CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
Show InChI InChI=1S/C14H19F2N3O/c1-8(2)20-11-6-4-5-10-9(3)18-14(19-13(10)11)17-7-12(15)16/h4-6,8-9,12H,7H2,1-3H3,(H2,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181066
PNG
(2-(3-(3-chlorobenzyloxy)-5-methylphenyl)isoindolin...)
Show SMILES Cc1cc(OCc2cccc(Cl)c2)cc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H16ClNO3/c1-14-9-17(24-21(25)19-7-2-3-8-20(19)22(24)26)12-18(10-14)27-13-15-5-4-6-16(23)11-15/h2-12H,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.70n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371460
PNG
(CHEMBL401745)
Show SMILES COc1cc(Cl)c(C)c2C(C)NC(N)=Nc12 |c:13|
Show InChI InChI=1S/C11H14ClN3O/c1-5-7(12)4-8(16-3)10-9(5)6(2)14-11(13)15-10/h4,6H,1-3H3,(H3,13,14,15)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181075
PNG
(2-(3-chlorobenzyloxy)-6-chloroisonicotinonitrile |...)
Show SMILES Clc1cccc(COc2cc(cc(Cl)n2)C#N)c1
Show InChI InChI=1S/C13H8Cl2N2O/c14-11-3-1-2-9(4-11)8-18-13-6-10(7-16)5-12(15)17-13/h1-6H,8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371466
PNG
(CHEMBL270177)
Show SMILES CC1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50122758
PNG
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122758
PNG
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371974
PNG
(CHEMBL256047)
Show SMILES C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181076
PNG
(3-((3-(1,3-dioxoisoindolin-2-yl)-5-methylphenoxy)m...)
Show SMILES Cc1cc(OCc2cccc(c2)C#N)cc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c1-15-9-18(25-22(26)20-7-2-3-8-21(20)23(25)27)12-19(10-15)28-14-17-6-4-5-16(11-17)13-24/h2-12H,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371998
PNG
(CHEMBL404372)
Show SMILES C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)/t5-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371463
PNG
(CHEMBL271298)
Show SMILES CNC1=Nc2ccc(Cl)c(Cl)c2C(C)N1 |t:2|
Show InChI InChI=1S/C10H11Cl2N3/c1-5-8-7(15-10(13-2)14-5)4-3-6(11)9(8)12/h3-5H,1-2H3,(H2,13,14,15)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371445
PNG
(CHEMBL408152)
Show SMILES COc1cccc2C(C)NC(N)=Nc12 |c:11|
Show InChI InChI=1S/C10H13N3O/c1-6-7-4-3-5-8(14-2)9(7)13-10(11)12-6/h3-6H,1-2H3,(H3,11,12,13)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371459
PNG
(CHEMBL272781)
Show SMILES CC1NC(N)=Nc2c(Cl)ccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H9Cl2N3/c1-4-7-5(10)2-3-6(11)8(7)14-9(12)13-4/h2-4H,1H3,(H3,12,13,14)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371996
PNG
(CHEMBL541993)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)/t6-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.80n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371981
PNG
(CHEMBL256694)
Show SMILES C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50371464
PNG
(CHEMBL273170)
Show SMILES CC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:4|
Show InChI InChI=1S/C9H9Cl2N3/c1-4-7-6(14-9(12)13-4)3-2-5(10)8(7)11/h2-4H,1H3,(H3,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371445
PNG
(CHEMBL408152)
Show SMILES COc1cccc2C(C)NC(N)=Nc12 |c:11|
Show InChI InChI=1S/C10H13N3O/c1-6-7-4-3-5-8(14-2)9(7)13-10(11)12-6/h3-6H,1-2H3,(H3,11,12,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371464
PNG
(CHEMBL273170)
Show SMILES CC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:4|
Show InChI InChI=1S/C9H9Cl2N3/c1-4-7-6(14-9(12)13-4)3-2-5(10)8(7)11/h2-4H,1H3,(H3,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181067
PNG
(2-chloro-6-((2-methylpyridin-4-yl)methoxy)isonicot...)
Show SMILES Cc1cc(COc2cc(cc(Cl)n2)C#N)ccn1
Show InChI InChI=1S/C13H10ClN3O/c1-9-4-10(2-3-16-9)8-18-13-6-11(7-15)5-12(14)17-13/h2-6H,8H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371462
PNG
(CHEMBL258075)
Show SMILES CC(C)Oc1cccc2C(C)NC(N)=Nc12 |c:13|
Show InChI InChI=1S/C12H17N3O/c1-7(2)16-10-6-4-5-9-8(3)14-12(13)15-11(9)10/h4-8H,1-3H3,(H3,13,14,15)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371985
PNG
(CHEMBL404511)
Show SMILES CC1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
Show InChI InChI=1S/C11H12ClF2N3/c1-6-10-7(12)3-2-4-8(10)17-11(16-6)15-5-9(13)14/h2-4,6,9H,5H2,1H3,(H2,15,16,17)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10.1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT5A receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371465
PNG
(CHEMBL269964)
Show SMILES CNC1=Nc2cccc(Cl)c2C(C)N1 |t:2|
Show InChI InChI=1S/C10H12ClN3/c1-6-9-7(11)4-3-5-8(9)14-10(12-2)13-6/h3-6H,1-2H3,(H2,12,13,14)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10.8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181079
PNG
(CHEMBL207097 | N-(2-(3-chlorobenzyloxy)-6-methylpy...)
Show SMILES CN(c1cncnc1)c1cc(C)nc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H17ClN4O/c1-13-6-16(23(2)17-9-20-12-21-10-17)8-18(22-13)24-11-14-4-3-5-15(19)7-14/h3-10,12H,11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371444
PNG
(CHEMBL258073)
Show SMILES COc1c(Cl)ccc2N=C(N)NC(C)c12 |t:8|
Show InChI InChI=1S/C10H12ClN3O/c1-5-8-7(14-10(12)13-5)4-3-6(11)9(8)15-2/h3-5H,1-2H3,(H3,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12.4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371463
PNG
(CHEMBL271298)
Show SMILES CNC1=Nc2ccc(Cl)c(Cl)c2C(C)N1 |t:2|
Show InChI InChI=1S/C10H11Cl2N3/c1-5-8-7(15-10(13-2)14-5)4-3-6(11)9(8)12/h3-5H,1-2H3,(H2,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13.2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50122758
PNG
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
14.1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371465
PNG
(CHEMBL269964)
Show SMILES CNC1=Nc2cccc(Cl)c2C(C)N1 |t:2|
Show InChI InChI=1S/C10H12ClN3/c1-6-9-7(11)4-3-5-8(9)14-10(12-2)13-6/h3-6H,1-2H3,(H2,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15.3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371466
PNG
(CHEMBL270177)
Show SMILES CC1NC(N)=Nc2cccc(Cl)c12 |c:4|
Show InChI InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15.9n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071369
PNG
(CHEMBL3410220)
Show SMILES Cc1nc(cn1-c1cccc(F)c1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181065
PNG
(2-chloro-6-((2-chloropyridin-4-yl)methoxy)isonicot...)
Show SMILES Clc1cc(COc2cc(cc(Cl)n2)C#N)ccn1
Show InChI InChI=1S/C12H7Cl2N3O/c13-10-3-8(1-2-16-10)7-18-12-5-9(6-15)4-11(14)17-12/h1-5H,7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371983
PNG
(CHEMBL257744)
Show SMILES COc1c(Cl)ccc2N=C(NCC(F)F)NC(C)c12 |t:8|
Show InChI InChI=1S/C12H14ClF2N3O/c1-6-10-8(4-3-7(13)11(10)19-2)18-12(17-6)16-5-9(14)15/h3-4,6,9H,5H2,1-2H3,(H2,16,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17.6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT7 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122758
PNG
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
17.8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071328
PNG
(CHEMBL3410213)
Show SMILES Cc1cc(ccn1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181077
PNG
(CHEMBL204062 | N-(2-(3-chlorobenzyloxy)-6-methylpy...)
Show SMILES CN(C(=O)C(F)(F)F)c1cc(C)nc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C16H14ClF3N2O2/c1-10-6-13(22(2)15(23)16(18,19)20)8-14(21-10)24-9-11-4-3-5-12(17)7-11/h3-8H,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50371974
PNG
(CHEMBL256047)
Show SMILES C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
Show InChI InChI=1S/C11H11Cl2F2N3/c1-5-9-7(3-2-6(12)10(9)13)18-11(17-5)16-4-8(14)15/h2-3,5,8H,4H2,1H3,(H2,16,17,18)/t5-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18.3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


Bioorg Med Chem Lett 18: 262-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.078
BindingDB Entry DOI: 10.7270/Q2FJ2HNN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 560 total )  |  Next  |  Last  >>
Jump to: