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SMILES: CCCN(CCCCN1CCN(CC1)c1cccc(Cl)c1Cl)Cc1csc2ccccc12

InChI Key: InChIKey=JHMYLCCZLFZGNF-UHFFFAOYSA-N

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 2 hits for monomerid = 50343801   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50343801
PNG
(CHEMBL1774544 | N-(Benzo[b]thiophen-2-ylmethyl)-4-...)
Show SMILES CCCN(CCCCN1CCN(CC1)c1cccc(Cl)c1Cl)Cc1csc2ccccc12
Show InChI InChI=1S/C26H33Cl2N3S/c1-2-12-30(19-21-20-32-25-11-4-3-8-22(21)25)14-6-5-13-29-15-17-31(18-16-29)24-10-7-9-23(27)26(24)28/h3-4,7-11,20H,2,5-6,12-19H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
101n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343801
PNG
(CHEMBL1774544 | N-(Benzo[b]thiophen-2-ylmethyl)-4-...)
Show SMILES CCCN(CCCCN1CCN(CC1)c1cccc(Cl)c1Cl)Cc1csc2ccccc12
Show InChI InChI=1S/C26H33Cl2N3S/c1-2-12-30(19-21-20-32-25-11-4-3-8-22(21)25)14-6-5-13-29-15-17-31(18-16-29)24-10-7-9-23(27)26(24)28/h3-4,7-11,20H,2,5-6,12-19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
162n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair