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BDBM50218405 CHEMBL86127

SMILES: O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ncccc12

InChI Key: InChIKey=REDQYSRGGWSYHE-OKDASEJXSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218405   
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
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50218405
PNG
(CHEMBL86127)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ncccc12
Show InChI InChI=1S/C29H32N4O/c30-20-22-6-9-23-13-17-33(18-14-24(23)19-22)16-12-21-7-10-25(11-8-21)32-29(34)27-3-1-5-28-26(27)4-2-15-31-28/h1-6,9,15,19,21,25H,7-8,10-14,16-18H2,(H,32,34)/t21-,25-
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D3 by displacement of [125I]iodosulpiride expressed in CHO cells


Bioorg Med Chem Lett 10: 2553-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00505-9
BindingDB Entry DOI: 10.7270/Q24Q7X55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50218405
PNG
(CHEMBL86127)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ncccc12
Show InChI InChI=1S/C29H32N4O/c30-20-22-6-9-23-13-17-33(18-14-24(23)19-22)16-12-21-7-10-25(11-8-21)32-29(34)27-3-1-5-28-26(27)4-2-15-31-28/h1-6,9,15,19,21,25H,7-8,10-14,16-18H2,(H,32,34)/t21-,25-
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 by displacement of [125I]iodosulpiride expressed in CHO cells


Bioorg Med Chem Lett 10: 2553-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00505-9
BindingDB Entry DOI: 10.7270/Q24Q7X55
More data for this
Ligand-Target Pair