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BDBM50139924 CHEMBL3765266

SMILES: Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C

InChI Key: InChIKey=CRCNNTYVVVULMG-UHFFFAOYNA-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 = 50139924   
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
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50139924
PNG
(CHEMBL3765266)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1/C26H27F3N6O2S/c1-17-30-23(33-37-17)19-4-6-20(7-5-19)24-31-32-25(34(24)2)38-15-3-12-35-13-14-36-22(16-35)18-8-10-21(11-9-18)26(27,28)29/h4-11,22H,3,12-16H2,1-2H3
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
10n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay


Bioorg Med Chem Lett 26: 1329-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.081
BindingDB Entry DOI: 10.7270/Q2HM5B83
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50139924
PNG
(CHEMBL3765266)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1/C26H27F3N6O2S/c1-17-30-23(33-37-17)19-4-6-20(7-5-19)24-31-32-25(34(24)2)38-15-3-12-35-13-14-36-22(16-35)18-8-10-21(11-9-18)26(27,28)29/h4-11,22H,3,12-16H2,1-2H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
25n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D3 receptor after 45 mins by microplate scintillation counting analysis


Bioorg Med Chem Lett 26: 1329-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.081
BindingDB Entry DOI: 10.7270/Q2HM5B83
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50139924
PNG
(CHEMBL3765266)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1/C26H27F3N6O2S/c1-17-30-23(33-37-17)19-4-6-20(7-5-19)24-31-32-25(34(24)2)38-15-3-12-35-13-14-36-22(16-35)18-8-10-21(11-9-18)26(27,28)29/h4-11,22H,3,12-16H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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UniChem

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Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D2 receptor after 45 mins by microplate scintillation counting analysis


Bioorg Med Chem Lett 26: 1329-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.081
BindingDB Entry DOI: 10.7270/Q2HM5B83
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50139924
PNG
(CHEMBL3765266)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1/C26H27F3N6O2S/c1-17-30-23(33-37-17)19-4-6-20(7-5-19)24-31-32-25(34(24)2)38-15-3-12-35-13-14-36-22(16-35)18-8-10-21(11-9-18)26(27,28)29/h4-11,22H,3,12-16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 expressed in bactosome using 7BQ as substrate


Bioorg Med Chem Lett 26: 1329-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.081
BindingDB Entry DOI: 10.7270/Q2HM5B83
More data for this
Ligand-Target Pair