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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM50162957'   
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50162957
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to human Dopamine receptor D1


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50162957
PNG
((11-Fluoro-2,3,3a,12b-tetrahydro-1-oxa-8-thia-dibe...)
Show SMILES CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
Show InChI InChI=1S/C19H20FNOS/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15?,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to human Dopamine receptor D1


J Med Chem 48: 1709-12 (2005)


Article DOI: 10.1021/jm049632c
BindingDB Entry DOI: 10.7270/Q2MC8ZHB
More data for this
Ligand-Target Pair