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2 similar compounds to monomer 50192308

Compile data set for download or QSAR
Wt: 474.5
BDBM50192314
Wt: 473.5
BDBM50192323

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50192314,50192323   
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))
BDBM50192323
PNG
(CHEMBL3956612)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnc1
Show InChI InChI=1S/C24H26F3N5S/c1-31-21(18-4-2-10-28-15-18)29-30-22(31)33-13-3-11-32-12-9-23(16-32)14-20(23)17-5-7-19(8-6-17)24(25,26)27/h2,4-8,10,15,20H,3,9,11-14,16H2,1H3/t20-,23-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/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 counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50192314
PNG
(CHEMBL3930825)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnn1
Show InChI InChI=1S/C23H25F3N6S/c1-31-20(19-4-2-10-27-28-19)29-30-21(31)33-13-3-11-32-12-9-22(15-32)14-18(22)16-5-7-17(8-6-16)23(24,25)26/h2,4-8,10,18H,3,9,11-15H2,1H3/t18-,22-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
98n/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 counting


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50192323
PNG
(CHEMBL3956612)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnc1
Show InChI InChI=1S/C24H26F3N5S/c1-31-21(18-4-2-10-28-15-18)29-30-22(31)33-13-3-11-32-12-9-23(16-32)14-20(23)17-5-7-19(8-6-17)24(25,26)27/h2,4-8,10,15,20H,3,9,11-14,16H2,1H3/t20-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.35E+3n/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 coexpressing Galpha16 after 120 mins by liquid scin...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50192314
PNG
(CHEMBL3930825)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnn1
Show InChI InChI=1S/C23H25F3N6S/c1-31-20(19-4-2-10-27-28-19)29-30-21(31)33-13-3-11-32-12-9-22(15-32)14-18(22)16-5-7-17(8-6-16)23(24,25)26/h2,4-8,10,18H,3,9,11-15H2,1H3/t18-,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.78E+3n/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 coexpressing Galpha16 after 120 mins by liquid scin...


J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair