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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50087036'   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50087036
PNG
(6-Methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]ac...)
Show SMILES CN1CCc2ccc3Cc4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H17N/c1-19-8-7-11-5-6-14-9-12-3-2-4-13-10-15(19)17(11)18(14)16(12)13/h2-6,15H,7-10H2,1H3/t15-/m1/s1
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PC cid
PC sid
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Similars

PubMed
83n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ...


Bioorg Med Chem Lett 11: 367-70 (2001)


BindingDB Entry DOI: 10.7270/Q2N8792J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50087036
PNG
(6-Methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]ac...)
Show SMILES CN1CCc2ccc3Cc4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H17N/c1-19-8-7-11-5-6-14-9-12-3-2-4-13-10-15(19)17(11)18(14)16(12)13/h2-6,15H,7-10H2,1H3/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
83.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured on cloned Human D2A Receptor which is labeled by [3H]-Raclopride


J Med Chem 43: 1339-49 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
More data for this
Ligand-Target Pair