BindingDB logo
myBDB logout

BDBM50508377 CHEMBL4546510

SMILES: Cc1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1

InChI Key: InChIKey=CGGQNCJPNWJENQ-UHFFFAOYSA-N

Data: 2 IC50

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 = 50508377   
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50508377
PNG
(CHEMBL4546510)
Show SMILES Cc1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C28H32ClN3O3/c1-20-4-2-3-5-23(20)25-8-9-27(35-25)28(33)32-16-14-31(15-17-32)19-21-6-7-26(24(29)18-21)34-22-10-12-30-13-11-22/h2-9,18,22,30H,10-17,19H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...


Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50508377
PNG
(CHEMBL4546510)
Show SMILES Cc1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C28H32ClN3O3/c1-20-4-2-3-5-23(20)25-8-9-27(35-25)28(33)32-16-14-31(15-17-32)19-21-6-7-26(24(29)18-21)34-22-10-12-30-13-11-22/h2-9,18,22,30H,10-17,19H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human UT2 receptor expressed in HEK293-aeq cells assessed as inhibition of U2-induced intracellular calcium mobilization prein...


Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
More data for this
Ligand-Target Pair