BindingDB logo
myBDB logout

BDBM50352724 CHEMBL1822896::US8835436, Example 6

SMILES: Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1

InChI Key: InChIKey=JXNOGBVEQNMHDF-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50352724   
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))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 18.6n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12.1n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10.2n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin transporter binding assays, a reaction mixture with a final volume of 0.25 ml was prepared by mixing a test compound, human serotonin t...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor by competition binding assay


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 6 (5-HT6)


(Homo sapiens (human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 136n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5HT6 receptor by competition binding assay


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 7 (5-HT7)


(Homo sapiens (human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by competition binding assay


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 2A


(Homo sapiens (human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18.6n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 493n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 receptor by competition binding assay


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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
inhibition of dopamine D4 receptor by competition binding assay


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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.11E+3n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]astemizole from human ERG 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 (5-HT2C)


(Homo sapiens (human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12.1n/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
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10.2n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50352724
PNG
(CHEMBL1822896 | US8835436, Example 6)
Show SMILES Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Show InChI InChI=1S/C25H29Cl2N5O/c1-18-24(29-19(2)32(18)20-8-4-3-5-9-20)25(33)28-12-7-13-30-14-16-31(17-15-30)22-11-6-10-21(26)23(22)27/h3-6,8-11H,7,12-17H2,1-2H3,(H,28,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.37E+3n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor by competition binding assay


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