BindingDB logo
myBDB logout

BDBM50472725 CHEMBL90588::CHIR-2279

SMILES: NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=JAOKSQLUELFTBL-UHFFFAOYSA-N

Data: 1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50472725   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50472725
PNG
(CHEMBL90588 | CHIR-2279)
Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H36N4O4/c35-32(40)24-37(22-20-26-7-3-1-4-8-26)34(42)25-38(30-15-13-29(14-16-30)28-9-5-2-6-10-28)33(41)23-36-21-19-27-11-17-31(39)18-12-27/h1-18,36,39H,19-25H2,(H2,35,40)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



CombiChem, Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against alpha-1 adrenergic receptor


J Med Chem 43: 2770-4 (2000)


Article DOI: 10.1021/jm990578n
BindingDB Entry DOI: 10.7270/Q23R0WMZ
More data for this
Ligand-Target Pair