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BDBM50100220 CHEMBL61598::N-{3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-quinazolin-7-yl}-acetamide

SMILES: COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(NC(C)=O)ccc5c4=O)C[C@@H]3CCc12

InChI Key: InChIKey=CDHRNZXTVNDRBC-HRAATJIYSA-N

Data: 3 KI

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

Found 3 hits for monomerid = 50100220   
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))
BDBM50100220
PNG
(CHEMBL61598 | N-{3-[2-(6-Methoxy-1,3,3a,4,5,9b-hex...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(NC(C)=O)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H28N4O4/c1-15(30)26-17-7-9-20-22(12-17)27-25(32)29(24(20)31)11-10-28-13-16-6-8-19-18(21(16)14-28)4-3-5-23(19)33-2/h3-5,7,9,12,16,21H,6,8,10-11,13-14H2,1-2H3,(H,26,30)(H,27,32)/t16-,21+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.410n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat alpha-1D adrenergic receptor expressed in LTK cells


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50100220
PNG
(CHEMBL61598 | N-{3-[2-(6-Methoxy-1,3,3a,4,5,9b-hex...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(NC(C)=O)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H28N4O4/c1-15(30)26-17-7-9-20-22(12-17)27-25(32)29(24(20)31)11-10-28-13-16-6-8-19-18(21(16)14-28)4-3-5-23(19)33-2/h3-5,7,9,12,16,21H,6,8,10-11,13-14H2,1-2H3,(H,26,30)(H,27,32)/t16-,21+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.430n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50100220
PNG
(CHEMBL61598 | N-{3-[2-(6-Methoxy-1,3,3a,4,5,9b-hex...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(NC(C)=O)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H28N4O4/c1-15(30)26-17-7-9-20-22(12-17)27-25(32)29(24(20)31)11-10-28-13-16-6-8-19-18(21(16)14-28)4-3-5-23(19)33-2/h3-5,7,9,12,16,21H,6,8,10-11,13-14H2,1-2H3,(H,26,30)(H,27,32)/t16-,21+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.840n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hamster alpha-1B adrenergic receptor


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair