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BDBM50192237 CHEMBL3954490

SMILES: Cc1ncoc1-c1nnc(SCC(O)CN2CC[C@@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C

InChI Key: InChIKey=GNVATANRVUMZDM-PRWIQHLGNA-N

Data: 2 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 2 hits for monomerid = 50192237   
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))
BDBM50192237
PNG
(CHEMBL3954490)
Show SMILES Cc1ncoc1-c1nnc(SCC(O)CN2CC[C@@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H26F3N5O2S/c1-14-19(33-13-27-14)20-28-29-21(30(20)2)34-11-17(32)10-31-8-7-22(12-31)9-18(22)15-3-5-16(6-4-15)23(24,25)26/h3-6,13,17-18,32H,7-12H2,1-2H3/t17?,18-,22+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50192237
PNG
(CHEMBL3954490)
Show SMILES Cc1ncoc1-c1nnc(SCC(O)CN2CC[C@@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C
Show InChI InChI=1/C23H26F3N5O2S/c1-14-19(33-13-27-14)20-28-29-21(30(20)2)34-11-17(32)10-31-8-7-22(12-31)9-18(22)15-3-5-16(6-4-15)23(24,25)26/h3-6,13,17-18,32H,7-12H2,1-2H3/t17?,18-,22+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.74E+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