new BindingDB logo
myBDB logout

BDBM50132341 CHEMBL3633757

SMILES: COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23

InChI Key: InChIKey=AJIMVLSQIMXLNV-UHFFFAOYNA-N

Data: 18 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 18 hits for monomerid = 50132341   
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))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1A adrenergic receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<300n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Inhibitory concentration of Bacillus stearothermophilus glucosidase (of family 13 alpha-glucosidase) at 1 umol/mL


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Competitive Inhibition constant for Bacillus stearothermophilus glucosidase


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1A adrenergic receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
Show InChI InChI=1/C26H24BrNO4/c1-28-8-7-16-10-23(29-2)26(30-13-15-3-5-18(27)6-4-15)25-19-12-22-21(31-14-32-22)11-17(19)9-20(28)24(16)25/h3-6,10-12,20H,7-9,13-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 25: 5102-6 (2015)


BindingDB Entry DOI: 10.7270/Q2HD7XGH
More data for this
Ligand-Target Pair