Found 11 hits of Enzyme Inhibition Constant Data 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 1A
(Homo sapiens (Human)) | BDBM50396143
(CHEMBL300739)Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(=CC1)c1cccc2OCCOc12 |c:16| Show InChI InChI=1S/C22H22FNO3/c23-16-4-5-17-15(12-16)13-19(21(17)25)24-8-6-14(7-9-24)18-2-1-3-20-22(18)27-11-10-26-20/h1-6,12,19,21,25H,7-11,13H2/t19-,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.851 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant 5HT1A receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50396145
(CHEMBL300100)Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C21H23FN2O3/c22-15-4-5-16-14(12-15)13-18(20(16)25)24-8-6-23(7-9-24)17-2-1-3-19-21(17)27-11-10-26-19/h1-5,12,18,20,25H,6-11,13H2/t18-,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant 5HT1A receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50396144
(CHEMBL2171702)Show InChI InChI=1S/C16H15N5OS/c1-10-5-3-7-13(18-10)21-15(22)14-16(23-11(2)19-14)20-12-6-4-8-17-9-12/h3-9,20H,1-2H3,(H,18,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at mGlu5 receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50396142
(CHEMBL2171706)Show InChI InChI=1S/C15H12FN5OS/c1-9-19-13(14(22)21-12-5-4-10(16)7-18-12)15(23-9)20-11-3-2-6-17-8-11/h2-8,20H,1H3,(H,18,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at mGlu5 receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50396141
(CHEMBL2171708)Show SMILES CC(C)OC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2Oc1ncnc(Oc2cccnc2C)c1C |r| Show InChI InChI=1S/C22H28N4O5/c1-13(2)29-22(27)26-8-16-10-28-11-17(9-26)19(16)31-21-14(3)20(24-12-25-21)30-18-6-5-7-23-15(18)4/h5-7,12-13,16-17,19H,8-11H2,1-4H3/t16-,17+,19- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Agonist activity at GPR119 |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50396140
(CHEMBL2171707)Show InChI InChI=1S/C14H11FN6OS/c1-8-19-12(13(22)21-11-3-2-9(15)4-18-11)14(23-8)20-10-5-16-7-17-6-10/h2-7,20H,1H3,(H,18,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at mGlu5 receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50396139
(CHEMBL2171704)Show InChI InChI=1S/C16H15N5OS/c1-10-8-12(5-7-18-10)20-15(22)14-16(23-11(2)19-14)21-13-4-3-6-17-9-13/h3-9,21H,1-2H3,(H,18,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at mGlu5 receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50396138
(CHEMBL2171703)Show InChI InChI=1S/C16H15N5O2S/c1-10-18-14(16(24-10)20-11-5-3-7-17-8-11)15(23)21-13-6-2-4-12(9-22)19-13/h2-8,20,22H,9H2,1H3,(H,19,21,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at mGlu5 receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50396137
(CHEMBL2171705)Show InChI InChI=1S/C15H14N6OS/c1-9-5-11(3-4-18-9)20-14(22)13-15(23-10(2)19-13)21-12-6-16-8-17-7-12/h3-8,21H,1-2H3,(H,18,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at mGlu5 receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50396136
(CHEMBL2169905)Show InChI InChI=1S/C16H15N5O2S/c1-9-12(22)5-6-13(18-9)21-15(23)14-16(24-10(2)19-14)20-11-4-3-7-17-8-11/h3-8,20,22H,1-2H3,(H,18,21,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Antagonist activity at mGlu5 receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50396146
(CHEMBL51457)Show SMILES O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C22H24FNO3/c23-16-4-5-17-15(12-16)13-19(21(17)25)24-8-6-14(7-9-24)18-2-1-3-20-22(18)27-11-10-26-20/h1-5,12,14,19,21,25H,6-11,13H2/t19-,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.37E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant 5HT1A receptor |
J Med Chem 55: 6002-20 (2012)
Article DOI: 10.1021/jm300343m
BindingDB Entry DOI: 10.7270/Q2WH2R4H |
More data for this
Ligand-Target Pair | |
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