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SMILES: CCCN(CCCCCc1ccc(O)c(O)c1)C1CCc2nc(N)sc2C1

InChI Key: InChIKey=CVHFBMSYCSPBIQ-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50533793   
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


(Rattus norvegicus (Rat))		BDBM50533793
PNG
(CHEMBL4581614)
Show SMILES CCCN(CCCCCc1ccc(O)c(O)c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C21H31N3O2S/c1-2-11-24(16-8-9-17-20(14-16)27-21(22)23-17)12-5-3-4-6-15-7-10-18(25)19(26)13-15/h7,10,13,16,25-26H,2-6,8-9,11-12,14H2,1H3,(H2,22,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.60n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 cell membranes after 1 hr

Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50533793
PNG
(CHEMBL4581614)
Show SMILES CCCN(CCCCCc1ccc(O)c(O)c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C21H31N3O2S/c1-2-11-24(16-8-9-17-20(14-16)27-21(22)23-17)12-5-3-4-6-15-7-10-18(25)19(26)13-15/h7,10,13,16,25-26H,2-6,8-9,11-12,14H2,1H3,(H2,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 116n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2L dopamine receptor expressed in HEK293 cell membranes after 1 hr

Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
More data for this
Ligand-Target Pair