BindingDB logo
myBDB logout

BDBM50154863 CHEMBL3775256

SMILES: Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1nccs1

InChI Key: InChIKey=AQINCVNJJDJAMA-UHFFFAOYSA-N

Data: 2 KI  1 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 = 50154863   
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 receptor


(Homo sapiens (Human))
BDBM50154863
PNG
(CHEMBL3775256)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1nccs1
Show InChI InChI=1S/C22H25F3N6S2/c1-29-19(20-26-8-12-32-20)27-28-21(29)33-11-2-9-30-13-15-7-10-31(18(15)14-30)17-5-3-16(4-6-17)22(23,24)25/h3-6,8,12,15,18H,2,7,9-11,13-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154863
PNG
(CHEMBL3775256)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1nccs1
Show InChI InChI=1S/C22H25F3N6S2/c1-29-19(20-26-8-12-32-20)27-28-21(29)33-11-2-9-30-13-15-7-10-31(18(15)14-30)17-5-3-16(4-6-17)22(23,24)25/h3-6,8,12,15,18H,2,7,9-11,13-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
158n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154863
PNG
(CHEMBL3775256)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1nccs1
Show InChI InChI=1S/C22H25F3N6S2/c1-29-19(20-26-8-12-32-20)27-28-21(29)33-11-2-9-30-13-15-7-10-31(18(15)14-30)17-5-3-16(4-6-17)22(23,24)25/h3-6,8,12,15,18H,2,7,9-11,13-14H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair