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BDBM50216344 CHEMBL319116

SMILES: [H][C@]12CCc3c(O)cccc3[C@]1([H])CCN2CCCCNC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=CYBHGHQYVGGXRB-BDYUSTAISA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50216344   
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))
BDBM50216344
PNG
(CHEMBL319116)
Show SMILES Oc1cccc2[C@@H]3CCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@H]3CCc12
Show InChI InChI=1S/C29H32N2O2/c32-28-10-6-9-24-25-17-20-31(27(25)16-15-26(24)28)19-5-4-18-30-29(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14,25,27,32H,4-5,15-20H2,(H,30,33)/t25-,27-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/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)


Article DOI: 10.1016/s0960-894x(98)00512-5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216344
PNG
(CHEMBL319116)
Show SMILES Oc1cccc2[C@@H]3CCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@H]3CCc12
Show InChI InChI=1S/C29H32N2O2/c32-28-10-6-9-24-25-17-20-31(27(25)16-15-26(24)28)19-5-4-18-30-29(33)23-13-11-22(12-14-23)21-7-2-1-3-8-21/h1-3,6-14,25,27,32H,4-5,15-20H2,(H,30,33)/t25-,27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
63n/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)


Article DOI: 10.1016/s0960-894x(98)00512-5
More data for this
Ligand-Target Pair