BindingDB logo
myBDB logout

BDBM50212607 CHEMBL57330

SMILES: CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1

InChI Key: InChIKey=GEDMTUQQRHRNSK-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 = 50212607   
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 1A


(Homo sapiens (human))
BDBM50212607
PNG
(CHEMBL57330)
Show SMILES CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C33H41N3O5/c1-3-14-35(23-19-27-28(39-2)11-6-12-29(27)40-21-23)15-5-4-13-34-33(38)26-20-30(37)41-32-24-10-8-17-36-16-7-9-22(31(24)36)18-25(26)32/h6,11-12,18,20,23H,3-5,7-10,13-17,19,21H2,1-2H3,(H,34,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in cellular brain membranes


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50212607
PNG
(CHEMBL57330)
Show SMILES CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C33H41N3O5/c1-3-14-35(23-19-27-28(39-2)11-6-12-29(27)40-21-23)15-5-4-13-34-33(38)26-20-30(37)41-32-24-10-8-17-36-16-7-9-22(31(24)36)18-25(26)32/h6,11-12,18,20,23H,3-5,7-10,13-17,19,21H2,1-2H3,(H,34,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for its ability to displace [3H]5-HT from 5-hydroxytryptamine 1B receptor in cellular brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (human))
BDBM50212607
PNG
(CHEMBL57330)
Show SMILES CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C33H41N3O5/c1-3-14-35(23-19-27-28(39-2)11-6-12-29(27)40-21-23)15-5-4-13-34-33(38)26-20-30(37)41-32-24-10-8-17-36-16-7-9-22(31(24)36)18-25(26)32/h6,11-12,18,20,23H,3-5,7-10,13-17,19,21H2,1-2H3,(H,34,38)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for its ability to displace [3H]ketanserin from 5-hydroxytryptamine 2 receptor in cellular brain membranes


Citation and Details
More data for this
Ligand-Target Pair