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SMILES: [H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c(n(C)c4ccc(CC)cc14)[C@]3([H])C2

InChI Key:

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 = 50597227   
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
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50597227
PNG
(CHEMBL5180373)
Show SMILES [H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c(n(C)c4ccc(CC)cc14)[C@]3([H])C2 |r,TLB:4:3:24.26:9.8,2:1:6:12.13.10.11,23:12:26.1.9:6,14:13:26.1.9:6,THB:10:8:24.26:3.2,13:24:9.8:3.2|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00214
BindingDB Entry DOI: 10.7270/Q2BR8X66
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50597227
PNG
(CHEMBL5180373)
Show SMILES [H][C@]12C[C@H](CC)[C@]3([H])N(C1)CCc1c(n(C)c4ccc(CC)cc14)[C@]3([H])C2 |r,TLB:4:3:24.26:9.8,2:1:6:12.13.10.11,23:12:26.1.9:6,14:13:26.1.9:6,THB:10:8:24.26:3.2,13:24:9.8:3.2|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 910n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00214
BindingDB Entry DOI: 10.7270/Q2BR8X66
More data for this
Ligand-Target Pair