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BDBM50212622 CHEMBL57187

SMILES: CCCN(CCCCNc1ccc([N+]([O-])=O)c2nonc12)C1COc2cccc(OC)c2C1

InChI Key: InChIKey=HLUXBGATERNGEH-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 = 50212622   
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))
BDBM50212622
PNG
(CHEMBL57187)
Show SMILES CCCN(CCCCNc1ccc([N+]([O-])=O)c2nonc12)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H29N5O5/c1-3-12-27(16-14-17-20(31-2)7-6-8-21(17)32-15-16)13-5-4-11-24-18-9-10-19(28(29)30)23-22(18)25-33-26-23/h6-10,16,24H,3-5,11-15H2,1-2H3
Reactome pathway
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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM50212622
PNG
(CHEMBL57187)
Show SMILES CCCN(CCCCNc1ccc([N+]([O-])=O)c2nonc12)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H29N5O5/c1-3-12-27(16-14-17-20(31-2)7-6-8-21(17)32-15-16)13-5-4-11-24-18-9-10-19(28(29)30)23-22(18)25-33-26-23/h6-10,16,24H,3-5,11-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM50212622
PNG
(CHEMBL57187)
Show SMILES CCCN(CCCCNc1ccc([N+]([O-])=O)c2nonc12)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H29N5O5/c1-3-12-27(16-14-17-20(31-2)7-6-8-21(17)32-15-16)13-5-4-11-24-18-9-10-19(28(29)30)23-22(18)25-33-26-23/h6-10,16,24H,3-5,11-15H2,1-2H3
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0000180n/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