BindingDB logo
myBDB logout

BDBM50007927 CHEMBL1204087

SMILES: Cl.COc1cc(C(O)=O)c(OC)cc1CC(C)N

InChI Key: InChIKey=LQVVKDQMQQVRIX-ZTTXAYQISA-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 = 50007927   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50007927
PNG
(CHEMBL1204087)
Show SMILES Cl.COc1cc(C(O)=O)c(OC)cc1CC(C)N
Show InChI InChI=1S/C42H59N9O13S/c1-5-6-11-29(48-39(58)32(51-41(60)64-42(2,3)4)19-24-14-16-26(17-15-24)65(61,62)63)37(56)46-23-34(52)47-33(20-25-22-45-28-12-8-7-10-27(25)28)40(59)49-30(13-9-18-43)38(57)50-31(36(44)55)21-35(53)54/h7-8,10,12,14-17,22,29-33,45H,5-6,9,11,13,18-21,23,43H2,1-4H3,(H2,44,55)(H,46,56)(H,47,52)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,53,54)(H,61,62,63)/t29-,30-,31-,32-,33-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor of rat frontal cortex using [3H]ketanserin radioligand

J Med Chem 33: 1032-6 (1990)


BindingDB Entry DOI: 10.7270/Q2319Z37
More data for this
Ligand-Target Pair