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SMILES: [H][C@]12CCc3cc(O)ccc3[C@]1([H])CCCN2CCCCNC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=XFYCKARBUDZUAB-VMPREFPWSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50216348   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50216348
PNG
(CHEMBL95759)
Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1([H])CCCN2CCCCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H34N2O2/c33-26-15-16-27-25(21-26)14-17-29-28(27)9-6-20-32(29)19-5-4-18-31-30(34)24-12-10-23(11-13-24)22-7-2-1-3-8-22/h1-3,7-8,10-13,15-16,21,28-29,33H,4-6,9,14,17-20H2,(H,31,34)/t28-,29-/m0/s1
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
7.90n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D3 expressed in CHO cells by [125I]iodosulpiride displacement.


Bioorg Med Chem Lett 8: 2859-64 (1998)


BindingDB Entry DOI: 10.7270/Q2319Z1B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216348
PNG
(CHEMBL95759)
Show SMILES [H][C@]12CCc3cc(O)ccc3[C@]1([H])CCCN2CCCCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H34N2O2/c33-26-15-16-27-25(21-26)14-17-29-28(27)9-6-20-32(29)19-5-4-18-31-30(34)24-12-10-23(11-13-24)22-7-2-1-3-8-22/h1-3,7-8,10-13,15-16,21,28-29,33H,4-6,9,14,17-20H2,(H,31,34)/t28-,29-/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 expressed in CHO cells by [125I]iodosulpiride displacement.


Bioorg Med Chem Lett 8: 2859-64 (1998)


BindingDB Entry DOI: 10.7270/Q2319Z1B
More data for this
Ligand-Target Pair