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SMILES: O[C@H](COc1ccc2NC(=O)CCc2c1)CN1CCN(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=FFJJKTNCSJWBOG-IBGZPJMESA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 168626   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM168626
PNG
(US9079852, Table F, Compound 11)
Show SMILES O[C@H](COc1ccc2NC(=O)CCc2c1)CN1CCN(CC1)c1ccc(Cl)cc1 |r|
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
antibodypedia
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
Alpha-1A/Alpha-1B/Alpha-1D 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 |r|
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