BindingDB logo
myBDB logout

BDBM50354493 CHEMBL409662

SMILES: CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12

InChI Key: InChIKey=QFHWIGIQQPTXBG-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50354493   
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 7


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.790n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT7 receptor (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.790n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry


J Med Chem 54: 6657-69 (2011)


Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.790n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



EGIS Pharmaceuticals Plc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor by radioligand binding assay


J Med Chem 54: 6657-69 (2011)


Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19.4n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A receptor


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
71.3n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


Assay Description
Inhibition of adrenergic alpha-1 receptor


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
187n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


Assay Description
Inhibition of 5HT6 receptor


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
358n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C receptor


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
950n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.61E+3n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor in rat frontal cortex membrane


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.61E+3n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting


J Med Chem 54: 6657-69 (2011)


Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.61E+3n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT1A receptor (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50354493
PNG
(CHEMBL409662)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.36E+3n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


Assay Description
Inhibition of dopamine D1 receptor


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair