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BDBM50352671 CHEMBL1823085

SMILES: CCCc1nc(cn1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C

InChI Key: InChIKey=YXSSPMOUMHOAOC-UHFFFAOYSA-N

Data: 3 IC50

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 = 50352671   
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))
BDBM50352671
PNG
(CHEMBL1823085)
Show SMILES CCCc1nc(cn1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C28H36FN5O/c1-4-7-27-31-25(20-34(27)24-12-10-23(29)11-13-24)28(35)30-14-6-15-32-16-18-33(19-17-32)26-9-5-8-21(2)22(26)3/h5,8-13,20H,4,6-7,14-19H2,1-3H3,(H,30,35)
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 141n/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))
BDBM50352671
PNG
(CHEMBL1823085)
Show SMILES CCCc1nc(cn1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C28H36FN5O/c1-4-7-27-31-25(20-34(27)24-12-10-23(29)11-13-24)28(35)30-14-6-15-32-16-18-33(19-17-32)26-9-5-8-21(2)22(26)3/h5,8-13,20H,4,6-7,14-19H2,1-3H3,(H,30,35)
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 188n/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))
BDBM50352671
PNG
(CHEMBL1823085)
Show SMILES CCCc1nc(cn1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C28H36FN5O/c1-4-7-27-31-25(20-34(27)24-12-10-23(29)11-13-24)28(35)30-14-6-15-32-16-18-33(19-17-32)26-9-5-8-21(2)22(26)3/h5,8-13,20H,4,6-7,14-19H2,1-3H3,(H,30,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 238n/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