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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 = 'BDBM50077638'   
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))
BDBM50077638
PNG
((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-4,6-diaza-benz...)
Show SMILES Oc1cc2CC[C@H]3NCc4ncccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C16H16N2O2/c19-14-6-9-3-4-12-16(11(9)7-15(14)20)10-2-1-5-17-13(10)8-18-12/h1-2,5-7,12,16,18-20H,3-4,8H2/t12-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
65n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Potency in adenylate cyclase functional assay against Dopamine receptor D1


Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50077638
PNG
((6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-4,6-diaza-benz...)
Show SMILES Oc1cc2CC[C@H]3NCc4ncccc4[C@@H]3c2cc1O
Show InChI InChI=1S/C16H16N2O2/c19-14-6-9-3-4-12-16(11(9)7-15(14)20)10-2-1-5-17-13(10)8-18-12/h1-2,5-7,12,16,18-20H,3-4,8H2/t12-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 6.70n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Potency in adenylate cyclase functional assay against Dopamine receptor D1


Bioorg Med Chem Lett 9: 1341-6 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FH5
More data for this
Ligand-Target Pair