BindingDB logo
myBDB logout

null

SMILES: Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cc(ccn2)C(F)(F)F)CC1

InChI Key: InChIKey=JKMPOCIHFLMQKZ-UHFFFAOYSA-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 3 hits for monomerid = 433506   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM433506
PNG
(US10562853, Compound 24)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cc(ccn2)C(F)(F)F)CC1
Show InChI InChI=1S/C21H21ClF5N3O2/c22-16-11-14(1-2-17(16)23)19(31)30-8-4-20(24,5-9-30)13-28-7-10-32-18-12-15(3-6-29-18)21(25,26)27/h1-3,6,11-12,28H,4-5,7-10,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.550n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
5-HT1A: Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human 5-HT1A receptor. All assays were carrie...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM433506
PNG
(US10562853, Compound 24)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cc(ccn2)C(F)(F)F)CC1
Show InChI InChI=1S/C21H21ClF5N3O2/c22-16-11-14(1-2-17(16)23)19(31)30-8-4-20(24,5-9-30)13-28-7-10-32-18-12-15(3-6-29-18)21(25,26)27/h1-3,6,11-12,28H,4-5,7-10,13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
D2 Dopamine Receptor:Radioligand binding was performed using membranes from CHO-K1 cells stably transfected with the human D2 receptor. All assays we...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM433506
PNG
(US10562853, Compound 24)
Show SMILES Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cc(ccn2)C(F)(F)F)CC1
Show InChI InChI=1S/C21H21ClF5N3O2/c22-16-11-14(1-2-17(16)23)19(31)30-8-4-20(24,5-9-30)13-28-7-10-32-18-12-15(3-6-29-18)21(25,26)27/h1-3,6,11-12,28H,4-5,7-10,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



NEUROLIXIS; UNIVERSITE JAGELLONE

US Patent


Assay Description
Alpha1-adrenergic Receptor: Radioligand binding was performed using tissue (rat cortex). All assays were carried out in duplicates. 50 μL workin...


US Patent US10562853 (2020)


BindingDB Entry DOI: 10.7270/Q29Z979D
More data for this
Ligand-Target Pair