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BDBM50007685 CHEMBL3233414

SMILES: [H][C@]12CCN(CC3CC(=NO3)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13

InChI Key: InChIKey=PBQSDWFDAXRGLF-QRRVMPJCNA-N

Data: 2 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 2 hits for monomerid = 50007685   
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
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM50007685
PNG
(CHEMBL3233414)
Show SMILES CN1CCN2[C@H]3CCN(CC4CC(=NO4)c4ccc(F)cc4)C[C@H]3c3cccc1c23
Show InChI InChI=1/C24H27FN4O/c1-27-11-12-29-22-9-10-28(15-20(22)19-3-2-4-23(27)24(19)29)14-18-13-21(26-30-18)16-5-7-17(25)8-6-16/h2-8,18,20,22H,9-15H2,1H3/t18?,20-,22-/s2
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies Inc

Curated by ChEMBL


Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells


J Med Chem 57: 2670-82 (2014)


Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50007685
PNG
(CHEMBL3233414)
Show SMILES CN1CCN2[C@H]3CCN(CC4CC(=NO4)c4ccc(F)cc4)C[C@H]3c3cccc1c23
Show InChI InChI=1/C24H27FN4O/c1-27-11-12-29-22-9-10-28(15-20(22)19-3-2-4-23(27)24(19)29)14-18-13-21(26-30-18)16-5-7-17(25)8-6-16/h2-8,18,20,22H,9-15H2,1H3/t18?,20-,22-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.28E+3n/an/an/an/an/an/an/an/a



Intra-Cellular Therapies Inc

Curated by ChEMBL


Assay Description
Displacement of [125]DOI from human recombinant full length 5HT2C receptor expressed in HEK293E cells


J Med Chem 57: 2670-82 (2014)


Article DOI: 10.1021/jm401958n
BindingDB Entry DOI: 10.7270/Q27D2WNZ
More data for this
Ligand-Target Pair