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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50054091'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.840n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.840n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair