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SMILES: COc1ccc(cc1OCCN1[C@@H](C)CCC[C@H]1C)N1Cc2cc(Cl)cc(Cl)c2C1=O

InChI Key: InChIKey=CUWRBQDVHWDJCB-IYBDPMFKSA-N

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 3 hits for monomerid = 50476466   
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 2C


(Homo sapiens (Human))
BDBM50476466
PNG
(CHEMBL397709)
Show SMILES COc1ccc(cc1OCCN1[C@@H](C)CCC[C@H]1C)N1Cc2cc(Cl)cc(Cl)c2C1=O
Show InChI InChI=1S/C24H28Cl2N2O3/c1-15-5-4-6-16(2)27(15)9-10-31-22-13-19(7-8-21(22)30-3)28-14-17-11-18(25)12-20(26)23(17)24(28)29/h7-8,11-13,15-16H,4-6,9-10,14H2,1-3H3/t15-,16+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 428-33 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.029
BindingDB Entry DOI: 10.7270/Q2TX3J4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50476466
PNG
(CHEMBL397709)
Show SMILES COc1ccc(cc1OCCN1[C@@H](C)CCC[C@H]1C)N1Cc2cc(Cl)cc(Cl)c2C1=O
Show InChI InChI=1S/C24H28Cl2N2O3/c1-15-5-4-6-16(2)27(15)9-10-31-22-13-19(7-8-21(22)30-3)28-14-17-11-18(25)12-20(26)23(17)24(28)29/h7-8,11-13,15-16H,4-6,9-10,14H2,1-3H3/t15-,16+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5HT2B receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 428-33 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.029
BindingDB Entry DOI: 10.7270/Q2TX3J4X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50476466
PNG
(CHEMBL397709)
Show SMILES COc1ccc(cc1OCCN1[C@@H](C)CCC[C@H]1C)N1Cc2cc(Cl)cc(Cl)c2C1=O
Show InChI InChI=1S/C24H28Cl2N2O3/c1-15-5-4-6-16(2)27(15)9-10-31-22-13-19(7-8-21(22)30-3)28-14-17-11-18(25)12-20(26)23(17)24(28)29/h7-8,11-13,15-16H,4-6,9-10,14H2,1-3H3/t15-,16+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 428-33 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.029
BindingDB Entry DOI: 10.7270/Q2TX3J4X
More data for this
Ligand-Target Pair