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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 = 'BDBM50007150'   
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


(RAT)
BDBM50007150
PNG
(1-Aminomethyl-3-benzyl-isochroman-5,6-diol | CHEMB...)
Show SMILES NC[C@@H]1OC(Cc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO3/c18-10-16-13-6-7-15(19)17(20)14(13)9-12(21-16)8-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
443n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity using [125 I] SCH 23982 radioligand competitive binding assay on dopamine receptor D1


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007150
PNG
(1-Aminomethyl-3-benzyl-isochroman-5,6-diol | CHEMB...)
Show SMILES NC[C@@H]1OC(Cc2ccccc2)Cc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H19NO3/c18-10-16-13-6-7-15(19)17(20)14(13)9-12(21-16)8-11-4-2-1-3-5-11/h1-7,12,16,19-20H,8-10,18H2/t12?,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 34n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% dopamine receptor D1 activity using cell free homogenate of carp retina


J Med Chem 34: 2561-9 (1991)


BindingDB Entry DOI: 10.7270/Q2HM57DN
More data for this
Ligand-Target Pair