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SMILES: CCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

InChI Key: InChIKey=NEOVVLWTAJNEGT-UHFFFAOYSA-N

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 = 50387809   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50387809
PNG
(CHEMBL2058369)
Show SMILES CCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C28H28N4O3S/c1-4-9-27-29-24-11-6-7-12-25(24)32(27)18-21-14-16-22(17-15-21)23-10-5-8-13-26(23)36(33,34)31-28-19(2)20(3)30-35-28/h5-8,10-17,31H,4,9,18H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells


Bioorg Med Chem 20: 4661-7 (2012)


Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50387809
PNG
(CHEMBL2058369)
Show SMILES CCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C28H28N4O3S/c1-4-9-27-29-24-11-6-7-12-25(24)32(27)18-21-14-16-22(17-15-21)23-10-5-8-13-26(23)36(33,34)31-28-19(2)20(3)30-35-28/h5-8,10-17,31H,4,9,18H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex


Bioorg Med Chem 20: 4661-7 (2012)


Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6
More data for this
Ligand-Target Pair