BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 20 hits from Emory University; NeurOp, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168618
PNG
(US9079852, Table F, Compound 3)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H26ClN3O4S/c1-29(26,27)22-17-4-8-20(9-5-17)28-15-19(25)14-23-10-12-24(13-11-23)18-6-2-16(21)3-7-18/h2-9,19,22,25H,10-15H2,1H3/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
553n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168620
PNG
(US9079852, Table F, Compound 5)
Show SMILES O[C@H](COc1ccc2[nH]ncc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN4O2/c21-16-1-3-17(4-2-16)25-9-7-24(8-10-25)13-18(26)14-27-19-5-6-20-15(11-19)12-22-23-20/h1-6,11-12,18,26H,7-10,13-14H2,(H,22,23)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.00E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168617
PNG
(US9079852, Table F, Compound 2)
Show SMILES O[C@H](COc1ccc2[nH]c(=O)oc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN3O4/c21-14-1-3-15(4-2-14)24-9-7-23(8-10-24)12-16(25)13-27-17-5-6-18-19(11-17)28-20(26)22-18/h1-6,11,16,25H,7-10,12-13H2,(H,22,26)/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.60E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168626
PNG
(US9079852, Table F, Compound 11)
Show SMILES O[C@H](COc1ccc2NC(=O)CCc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN3O3/c23-17-2-4-18(5-3-17)26-11-9-25(10-12-26)14-19(27)15-29-20-6-7-21-16(13-20)1-8-22(28)24-21/h2-7,13,19,27H,1,8-12,14-15H2,(H,24,28)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.00E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168621
PNG
(US9079852, Table F, Compound 6)
Show SMILES O[C@H](COc1ccc2[nH]c(=O)ccc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN3O3/c23-17-2-4-18(5-3-17)26-11-9-25(10-12-26)14-19(27)15-29-20-6-7-21-16(13-20)1-8-22(28)24-21/h1-8,13,19,27H,9-12,14-15H2,(H,24,28)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.50E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168622
PNG
(US9079852, Table F, Compound 7)
Show SMILES O[C@H](COc1ccc2[nH]c(=O)[nH]c2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O3/c21-14-1-3-15(4-2-14)25-9-7-24(8-10-25)12-16(26)13-28-17-5-6-18-19(11-17)23-20(27)22-18/h1-6,11,16,26H,7-10,12-13H2/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
7.50E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168625
PNG
(US9079852, Table F, Compound 10)
Show SMILES O[C@H](COc1ccc2[nH]c(=S)[nH]c2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2S/c21-14-1-3-15(4-2-14)25-9-7-24(8-10-25)12-16(26)13-27-17-5-6-18-19(11-17)23-20(28)22-18/h1-6,11,16,26H,7-10,12-13H2/t16-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
7.50E+3n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168624
PNG
(US9079852, Table F, Compound 9)
Show SMILES O[C@H](COc1ccc2NC(=O)Cc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClN3O3/c22-16-1-3-17(4-2-16)25-9-7-24(8-10-25)13-18(26)14-28-19-5-6-20-15(11-19)12-21(27)23-20/h1-6,11,18,26H,7-10,12-14H2,(H,23,27)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.00E+4n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168619
PNG
(US9079852, Table F, Compound 4)
Show SMILES NC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H25ClN4O3/c21-15-1-5-17(6-2-15)25-11-9-24(10-12-25)13-18(26)14-28-19-7-3-16(4-8-19)23-20(22)27/h1-8,18,26H,9-14H2,(H3,22,23,27)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.30E+4n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM168616
PNG
(US9079852, Table F, Compound 1)
Show SMILES O[C@H](COc1ccc(O)cc1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H23ClN2O3/c20-15-1-3-16(4-2-15)22-11-9-21(10-12-22)13-18(24)14-25-19-7-5-17(23)6-8-19/h1-8,18,23-24H,9-14H2/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
3.90E+4n/an/an/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168626
PNG
(US9079852, Table F, Compound 11)
Show SMILES O[C@H](COc1ccc2NC(=O)CCc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN3O3/c23-17-2-4-18(5-3-17)26-11-9-25(10-12-26)14-19(27)15-29-20-6-7-21-16(13-20)1-8-22(28)24-21/h2-7,13,19,27H,1,8-12,14-15H2,(H,24,28)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168624
PNG
(US9079852, Table F, Compound 9)
Show SMILES O[C@H](COc1ccc2NC(=O)Cc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClN3O3/c22-16-1-3-17(4-2-16)25-9-7-24(8-10-25)13-18(26)14-28-19-5-6-20-15(11-19)12-21(27)23-20/h1-6,11,18,26H,7-10,12-14H2,(H,23,27)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168625
PNG
(US9079852, Table F, Compound 10)
Show SMILES O[C@H](COc1ccc2[nH]c(=S)[nH]c2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2S/c21-14-1-3-15(4-2-14)25-9-7-24(8-10-25)12-16(26)13-27-17-5-6-18-19(11-17)23-20(28)22-18/h1-6,11,16,26H,7-10,12-13H2/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 150n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168620
PNG
(US9079852, Table F, Compound 5)
Show SMILES O[C@H](COc1ccc2[nH]ncc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN4O2/c21-16-1-3-17(4-2-16)25-9-7-24(8-10-25)13-18(26)14-27-19-5-6-20-15(11-19)12-22-23-20/h1-6,11-12,18,26H,7-10,13-14H2,(H,22,23)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168619
PNG
(US9079852, Table F, Compound 4)
Show SMILES NC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H25ClN4O3/c21-15-1-5-17(6-2-15)25-11-9-24(10-12-25)13-18(26)14-28-19-7-3-16(4-8-19)23-20(22)27/h1-8,18,26H,9-14H2,(H3,22,23,27)/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 340n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168621
PNG
(US9079852, Table F, Compound 6)
Show SMILES O[C@H](COc1ccc2[nH]c(=O)ccc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClN3O3/c23-17-2-4-18(5-3-17)26-11-9-25(10-12-26)14-19(27)15-29-20-6-7-21-16(13-20)1-8-22(28)24-21/h1-8,13,19,27H,9-12,14-15H2,(H,24,28)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 350n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168622
PNG
(US9079852, Table F, Compound 7)
Show SMILES O[C@H](COc1ccc2[nH]c(=O)[nH]c2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O3/c21-14-1-3-15(4-2-14)25-9-7-24(8-10-25)12-16(26)13-28-17-5-6-18-19(11-17)23-20(27)22-18/h1-6,11,16,26H,7-10,12-13H2/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 350n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168618
PNG
(US9079852, Table F, Compound 3)
Show SMILES CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H26ClN3O4S/c1-29(26,27)22-17-4-8-20(9-5-17)28-15-19(25)14-23-10-12-24(13-11-23)18-6-2-16(21)3-7-18/h2-9,19,22,25H,10-15H2,1H3/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 350n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168617
PNG
(US9079852, Table F, Compound 2)
Show SMILES O[C@H](COc1ccc2[nH]c(=O)oc2c1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN3O4/c21-14-1-3-15(4-2-14)24-9-7-23(8-10-24)12-16(25)13-27-17-5-6-18-19(11-17)28-20(26)22-18/h1-6,11,16,25H,7-10,12-13H2,(H,22,26)/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 620n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM168616
PNG
(US9079852, Table F, Compound 1)
Show SMILES O[C@H](COc1ccc(O)cc1)CN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H23ClN2O3/c20-15-1-3-16(4-2-15)22-11-9-21(10-12-22)13-18(24)14-25-19-7-5-17(23)6-8-19/h1-8,18,23-24H,9-14H2/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 720n/an/an/an/an/an/a



Emory University; NeurOp, Inc.

US Patent


Assay Description
Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...


US Patent US9079852 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SF5
More data for this
Ligand-Target Pair