BindingDB logo
myBDB logout

BDBM50102023 3-[4-(5-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile::CHEMBL54917

SMILES: COc1cccc2CN(CCc12)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N

InChI Key: InChIKey=YQSJTZPMJWLLSZ-PUZFROQSSA-N

Data: 1 KI

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 1 hit for monomerid = 50102023   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50102023
PNG
(3-[4-(5-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...)
Show SMILES COc1cccc2CN(CCc12)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:12.13,15.20,(4.13,-4.89,;3.36,-6.22,;4.13,-7.55,;3.35,-8.88,;4.13,-10.22,;5.66,-10.22,;6.42,-8.89,;7.97,-8.9,;8.74,-7.57,;7.97,-6.22,;6.43,-6.22,;5.66,-7.55,;10.27,-7.57,;11.06,-6.22,;12.59,-6.24,;13.36,-7.57,;12.59,-8.9,;11.04,-8.9,;14.9,-7.57,;15.37,-9.04,;16.92,-9.03,;17.39,-7.57,;18.77,-6.94,;18.95,-5.4,;17.69,-4.5,;16.3,-5.13,;16.14,-6.67,;17.84,-2.96,;17.99,-1.43,)|
Show InChI InChI=1S/C25H27N3O/c1-29-25-4-2-3-19-16-28(12-11-21(19)25)20-8-6-18(7-9-20)23-15-27-24-10-5-17(14-26)13-22(23)24/h2-5,10,13,15,18,20,27H,6-9,11-12,16H2,1H3/t18-,20+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.610n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes

Bioorg Med Chem Lett 11: 1885-8 (2001)


BindingDB Entry DOI: 10.7270/Q2GM86K9
More data for this
Ligand-Target Pair