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BDBM50352696 CHEMBL1823184

SMILES: COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C

InChI Key: InChIKey=CYFMNUPVSSRESR-UHFFFAOYNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50352696   
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 2A


(Homo sapiens (Human))
BDBM50352696
PNG
(CHEMBL1823184)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C
Show InChI InChI=1/C27H34ClN5O3/c1-18-22(28)8-7-10-23(18)32-14-12-31(13-15-32)17-21(34)16-29-27(35)26-19(2)33(20(3)30-26)24-9-5-6-11-25(24)36-4/h5-11,21,34H,12-17H2,1-4H3,(H,29,35)
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant serotonin 5-HT2A receptor expressed in CHO-K1 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50352696
PNG
(CHEMBL1823184)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C
Show InChI InChI=1/C27H34ClN5O3/c1-18-22(28)8-7-10-23(18)32-14-12-31(13-15-32)17-21(34)16-29-27(35)26-19(2)33(20(3)30-26)24-9-5-6-11-25(24)36-4/h5-11,21,34H,12-17H2,1-4H3,(H,29,35)
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]impiramine from human serotonin transporter membrane expressed in HEK293 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50352696
PNG
(CHEMBL1823184)
Show SMILES COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(Cl)c2C)c1C
Show InChI InChI=1/C27H34ClN5O3/c1-18-22(28)8-7-10-23(18)32-14-12-31(13-15-32)17-21(34)16-29-27(35)26-19(2)33(20(3)30-26)24-9-5-6-11-25(24)36-4/h5-11,21,34H,12-17H2,1-4H3,(H,29,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 476n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in CHO-K1 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair