BindingDB logo
myBDB logout

BDBM50087491 (Cis)2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione::CHEMBL288809

SMILES: COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6[nH]c5c4=O)CC3CCc12

InChI Key: InChIKey=WIRHRVAPDHCAEN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50087491   
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
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087491
PNG
((Cis)2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6[nH]c5c4=O)CC3CCc12
Show InChI InChI=1S/C25H26N4O3/c1-32-21-8-4-6-16-17(21)10-9-15-13-28(14-19(15)16)11-12-29-24(30)23-22(27-25(29)31)18-5-2-3-7-20(18)26-23/h2-8,15,19,26H,9-14H2,1H3,(H,27,31)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.740n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50087491
PNG
((Cis)2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6[nH]c5c4=O)CC3CCc12
Show InChI InChI=1S/C25H26N4O3/c1-32-21-8-4-6-16-17(21)10-9-15-13-28(14-19(15)16)11-12-29-24(30)23-22(27-25(29)31)18-5-2-3-7-20(18)26-23/h2-8,15,19,26H,9-14H2,1H3,(H,27,31)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.790n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptor


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50087491
PNG
((Cis)2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo...)
Show SMILES COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6[nH]c5c4=O)CC3CCc12
Show InChI InChI=1S/C25H26N4O3/c1-32-21-8-4-6-16-17(21)10-9-15-13-28(14-19(15)16)11-12-29-24(30)23-22(27-25(29)31)18-5-2-3-7-20(18)26-23/h2-8,15,19,26H,9-14H2,1H3,(H,27,31)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair