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BDBM50108590 (+/-)7-Chloro-9-(4-ethyl-piperazin-1-yl)-9,10-dihydro-4-thia-10a-aza-benzo[f]azulene::CHEMBL118889

SMILES: CCN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12

InChI Key: InChIKey=KVCCOUNQAONHEJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50108590   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50108590
PNG
((+/-)7-Chloro-9-(4-ethyl-piperazin-1-yl)-9,10-dihy...)
Show SMILES CCN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H22ClN3S/c1-2-20-8-10-21(11-9-20)16-13-22-7-3-4-18(22)23-17-6-5-14(19)12-15(16)17/h3-7,12,16H,2,8-11,13H2,1H3
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50108590
PNG
((+/-)7-Chloro-9-(4-ethyl-piperazin-1-yl)-9,10-dihy...)
Show SMILES CCN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H22ClN3S/c1-2-20-8-10-21(11-9-20)16-13-22-7-3-4-18(22)23-17-6-5-14(19)12-15(16)17/h3-7,12,16H,2,8-11,13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50108590
PNG
((+/-)7-Chloro-9-(4-ethyl-piperazin-1-yl)-9,10-dihy...)
Show SMILES CCN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H22ClN3S/c1-2-20-8-10-21(11-9-20)16-13-22-7-3-4-18(22)23-17-6-5-14(19)12-15(16)17/h3-7,12,16H,2,8-11,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50108590
PNG
((+/-)7-Chloro-9-(4-ethyl-piperazin-1-yl)-9,10-dihy...)
Show SMILES CCN1CCN(CC1)C1Cn2cccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H22ClN3S/c1-2-20-8-10-21(11-9-20)16-13-22-7-3-4-18(22)23-17-6-5-14(19)12-15(16)17/h3-7,12,16H,2,8-11,13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
18.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate


J Med Chem 45: 344-59 (2002)


BindingDB Entry DOI: 10.7270/Q2TX3G26
More data for this
Ligand-Target Pair