BindingDB logo
myBDB logout

PubMed code 28606760

Compile data set for download or QSAR
Found 57 hits of Enzyme Inhibition Constant Data   
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 3A


(Homo sapiens (Human))
BDBM50459886
PNG
(CHEMBL261010)
Show SMILES CN1CCN(CC1)c1nc2ccccc2nc1Cl
Show InChI InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3A receptor expressed in HEK293 cells by scintillation counting method


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50459882
PNG
(CHEMBL4060185)
Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3
UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human GABAA receptor alpha1beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50459882
PNG
(CHEMBL4060185)
Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human GABAA receptor alpha3beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50459882
PNG
(CHEMBL4060185)
Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human GABAA receptor alpha5beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50459882
PNG
(CHEMBL4060185)
Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human GABAA receptor alpha6beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Homo sapiens (Human))
BDBM50459886
PNG
(CHEMBL261010)
Show SMILES CN1CCN(CC1)c1nc2ccccc2nc1Cl
Show InChI InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5-HT3AB receptor expressed in HEK293 cells by scintillation counting method


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50459892
PNG
(CHEMBL4228824)
Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12|
Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
55n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha5beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50459892
PNG
(CHEMBL4228824)
Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12|
Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
360n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha2beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50459892
PNG
(CHEMBL4228824)
Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12|
Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
660n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha3beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Rattus norvegicus (Rat))
BDBM50459892
PNG
(CHEMBL4228824)
Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12|
Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
850n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha1beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50459882
PNG
(CHEMBL4060185)
Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4313 from human GABAA receptor alpha4beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50459882
PNG
(CHEMBL4060185)
Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human GABAA receptor alpha2beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50459883
PNG
(CHEMBL4228983)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ncccc2c1 |r,wU:3.2,THB:2:3:6.7:10.9,(14.8,-46.54,;14.57,-45.02,;13.14,-44.45,;11.94,-45.41,;12.23,-46.92,;10.76,-46.23,;9.1,-46.94,;8.89,-45.45,;10.48,-44.76,;10.55,-42.99,;10.95,-44.13,;15.78,-44.06,;15.54,-42.54,;16.74,-41.58,;18.18,-42.14,;19.38,-41.19,;20.8,-41.75,;21.04,-43.27,;19.83,-44.22,;18.41,-43.66,;17.21,-44.63,)|
Show InChI InChI=1S/C17H19N3O/c21-17(19-16-11-20-8-5-12(16)6-9-20)14-3-4-15-13(10-14)2-1-7-18-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,19,21)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-HT3A receptor expressed in HEK293 cell membranes using 5-HT as substrate in presence of [3H]GR65630


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50459888
PNG
(CHEMBL4225157)
Show SMILES C#CCNc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
Show InChI InChI=1S/C26H30N6/c1-2-13-29-25-23(18-27)17-24(19-28)26(31-25)30-14-7-6-8-21-11-15-32(16-12-21)20-22-9-4-3-5-10-22/h1,3-5,9-10,17,21H,6-8,11-16,20H2,(H2,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human alpha7 nAChR expressed in Xenopus oocytes at -80 mV holding potential by electro-physiological analysis


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Homo sapiens (Human))
BDBM50459885
PNG
(CHEMBL1382868)
Show SMILES C(Sc1[nH]cnc2ncnc12)c1cccc2ccccc12
Show InChI InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT3AB receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50459885
PNG
(CHEMBL1382868)
Show SMILES C(Sc1[nH]cnc2ncnc12)c1cccc2ccccc12
Show InChI InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT3A receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3E


(Homo sapiens (Human))
BDBM50459885
PNG
(CHEMBL1382868)
Show SMILES C(Sc1[nH]cnc2ncnc12)c1cccc2ccccc12
Show InChI InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT3AE receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3C


(Homo sapiens (Human))
BDBM50459885
PNG
(CHEMBL1382868)
Show SMILES C(Sc1[nH]cnc2ncnc12)c1cccc2ccccc12
Show InChI InChI=1S/C16H12N4S/c1-2-7-13-11(4-1)5-3-6-12(13)8-21-16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20)
PDB
MMDB

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT3AC receptor expressed in transient A201 cells after 30 mins by Fluo-4-AM dye based FLIPR assay


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50459888
PNG
(CHEMBL4225157)
Show SMILES C#CCNc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N
Show InChI InChI=1S/C26H30N6/c1-2-13-29-25-23(18-27)17-24(19-28)26(31-25)30-14-7-6-8-21-11-15-32(16-12-21)20-22-9-4-3-5-10-22/h1,3-5,9-10,17,21H,6-8,11-16,20H2,(H2,29,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3A receptor (unknown origin) assessed as inhibition of serotonin-induced peak currents


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50459883
PNG
(CHEMBL4228983)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2ncccc2c1 |r,wU:3.2,THB:2:3:6.7:10.9,(14.8,-46.54,;14.57,-45.02,;13.14,-44.45,;11.94,-45.41,;12.23,-46.92,;10.76,-46.23,;9.1,-46.94,;8.89,-45.45,;10.48,-44.76,;10.55,-42.99,;10.95,-44.13,;15.78,-44.06,;15.54,-42.54,;16.74,-41.58,;18.18,-42.14,;19.38,-41.19,;20.8,-41.75,;21.04,-43.27,;19.83,-44.22,;18.41,-43.66,;17.21,-44.63,)|
Show InChI InChI=1S/C17H19N3O/c21-17(19-16-11-20-8-5-12(16)6-9-20)14-3-4-15-13(10-14)2-1-7-18-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,19,21)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat brain membrane alpha7 nAChR


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-2/beta


(Homo sapiens (Human))
BDBM50459893
PNG
(Gelsemine)
Show SMILES [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6|
Show InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human glycine receptor alpha2beta expressed in HEK293 cells


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5-HT3 receptor (unknown origin)


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1/beta


(Homo sapiens (Human))
BDBM50459893
PNG
(Gelsemine)
Show SMILES [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6|
Show InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human glycine receptor alpha1beta expressed in HEK293 cells


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Mus musculus-Rattus norvegicus (Rat))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6 mouse GABAA receptor alpha1beta3gamma2


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit beta


(Homo sapiens (Human))
BDBM50459893
PNG
(Gelsemine)
Show SMILES [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6|
Show InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human glycine receptor alpha3beta expressed in HEK293 cells


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50459894
PNG
(CHEBI:17580 | Linalool)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C([#6])([#8])[#6]=[#6]
Show InChI InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.41E+5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT3A receptor expressed in Xenopus laevis oocytes assessed as HT-induced current by electrophysiological method


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50459887
PNG
(Cineole | Eucalyptol | FEMA NO. 2465 | NSC-6171)
Show SMILES CC12CCC(CC1)C(C)(C)O2 |(11.48,-8.16,;11.51,-6.62,;9.94,-7.29,;9.74,-5.88,;11.24,-5.23,;11.31,-3.55,;11.77,-4.68,;12.62,-5.85,;14.13,-5.55,;13.25,-4.44,;12.91,-7.27,)|
Show InChI InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.57E+5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 5-HT3A receptor expressed in Xenopus laevis oocytes assessed as HT-induced current by electrophysiological method


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50459889
PNG
(CHEMBL4224740)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cc(OC)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-14-6-3-12(4-7-14)16(18)9-5-13-11-15(21-2)8-10-17(13)19/h3-11,19H,1-2H3/b9-5+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.60E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant wild type GABAA receptor alpha2beta2gamma2S (unknown origin) expressed in HEK293 cells assessed as pote...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50459890
PNG
(Bromophene | CHEBI:70620)
Show SMILES Oc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 320n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GABAA receptor alpha1beta1gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiolog...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4


(Homo sapiens (Human))
BDBM50459884
PNG
(CHEMBL4228846)
Show SMILES Brc1cccc2cc(sc12)C(=O)N[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 237n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human alpha4beta4 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1/beta


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 171n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha1beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 3.80E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT43A receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-4


(Homo sapiens (Human))
BDBM50459884
PNG
(CHEMBL4228846)
Show SMILES Brc1cccc2cc(sc12)C(=O)N[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 286n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human alpha2beta4 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50459890
PNG
(Bromophene | CHEBI:70620)
Show SMILES Oc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 720n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GABAA receptor alpha1beta2gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiolog...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50459893
PNG
(Gelsemine)
Show SMILES [H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6|
Show InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13+,15+,16+,17-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 590n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human glycine receptor alpha1 expressed in HEK293 cells assessed as increase in glycine-induced current...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit gamma-2


(Mus musculus)
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of C57BL/6 mouse GABAA receptor alpha1beta2gamma2 assessed as increase in GABA-induced current response at -60 mV hold...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/delta


(Homo sapiens (Human))
BDBM50258216
PNG
(CHEMBL4105630)
Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r|
Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 163n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha4beta2delta (unknown origin)


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha1 receptor expressed in HEK293T cells assessed as glycine-induced increase incurrent response af...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT3 receptor (unknown origin)


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit beta


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 330n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha3beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Homo sapiens (Human))
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.80E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT43AB receptor expressed in Xenopus laevis oocytes


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50459884
PNG
(CHEMBL4228846)
Show SMILES Brc1cccc2cc(sc12)C(=O)N[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 446n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human alpha4beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1/beta


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha1beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50459884
PNG
(CHEMBL4228846)
Show SMILES Brc1cccc2cc(sc12)C(=O)N[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 275n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human (alpha4beta2)2beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidi...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50459890
PNG
(Bromophene | CHEBI:70620)
Show SMILES Oc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.08E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GABAA receptor alpha2beta2gamma2L expressed in Xenopus laevis oocytes incubated for 30 secs by electrophysiolog...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50459889
PNG
(CHEMBL4224740)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cc(OC)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-14-6-3-12(4-7-14)16(18)9-5-13-11-15(21-2)8-10-17(13)19/h3-11,19H,1-2H3/b9-5+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.77E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant wild type GABAA receptor alpha3beta2gamma2S (unknown origin) expressed in HEK293 cells assessed as pote...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit beta


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 66n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha3beta receptor expressed in HEK293T cells assessed as glycine-induced increase in current respon...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50459895
PNG
(CHEMBL1314103)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCOc1cccc2cccnc12
Show InChI InChI=1S/C17H15FN2O3S/c18-14-6-8-15(9-7-14)24(21,22)20-11-12-23-16-5-1-3-13-4-2-10-19-17(13)16/h1-10,20H,11-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.90E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human glycine receptor alpha3 expressed in CHOK1 cells at -60 mV holding potential by whole cell patch-...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 327n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha1 receptor expressed in HEK293T cells assessed as glycine-induced increase incurrent response af...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50229711
PNG
(CHEMBL4074873)
Show SMILES [H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|
Show InChI InChI=1S/C19H17N3O4S/c1-21-17-4-6-20-9-14(17)15-10-22(11-16(15)19(21)23)27(24,25)13-2-3-18-12(8-13)5-7-26-18/h2-9,15-16H,10-11H2,1H3/t15-,16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 454n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as glycine-induced increase in current response a...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM50459891
PNG
(CHEMBL4229086)
Show SMILES CCCCNC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C17H17F2NO2/c1-2-3-8-20-17(22)14-9-11(4-7-16(14)21)13-6-5-12(18)10-15(13)19/h4-7,9-10,21H,2-3,8H2,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.50E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GABAA receptor in Sprague-Dawley rat forebrain membranes assessed as enhancement of [3H]muscimol binding after 2 hrs by radiometr...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2


(Homo sapiens (Human))
BDBM50459884
PNG
(CHEMBL4228846)
Show SMILES Brc1cccc2cc(sc12)C(=O)N[C@@H]1CCCNC1 |r|
Show InChI InChI=1S/C14H15BrN2OS/c15-11-5-1-3-9-7-12(19-13(9)11)14(18)17-10-4-2-6-16-8-10/h1,3,5,7,10,16H,2,4,6,8H2,(H,17,18)/t10-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 660n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human alpha2beta2 nAChR expressed in HEK cells preincubated for 15 mins followed by dihydro-beta-erythroidine hydro...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human glycine alpha3 receptor expressed in HEK293T cells assessed as glycine-induced increase in current response a...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Mus musculus-Rattus norvegicus (Rat))
BDBM50229715
PNG
(CHEMBL4070615)
Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of C57BL/6 mouse GABAA receptor alpha1beta3gamma2 assessed as increase in GABA-induced current response at -60 mV hold...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50258216
PNG
(CHEMBL4105630)
Show SMILES [H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r|
Show InChI InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 374n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GABAA receptor alpha1beta2gamma2 (unknown origin)


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%