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BDBM50269944 CHEMBL4081970

SMILES: Cl.COc1ccc(\C=C\C2=NN(CCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1

InChI Key: InChIKey=BNHWWJLPRYEKLS-LTGZKZEYSA-N

Data: 2 EC50

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 = 50269944   
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
UTS2R


(RAT)
BDBM50269944
PNG
(CHEMBL4081970)
Show SMILES Cl.COc1ccc(\C=C\C2=NN(CCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C33H32N4O2/c1-39-29-19-14-25(15-20-29)16-21-31-30-10-5-6-11-32(30)36(33(38)37(35-31)23-7-22-34)24-26-12-17-28(18-13-26)27-8-3-2-4-9-27/h2-6,8-21H,7,22-24,34H2,1H3/b21-16+
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...


J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair
UTS2R


(RAT)
BDBM50269944
PNG
(CHEMBL4081970)
Show SMILES Cl.COc1ccc(\C=C\C2=NN(CCCN)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |t:8|
Show InChI InChI=1S/C33H32N4O2/c1-39-29-19-14-25(15-20-29)16-21-31-30-10-5-6-11-32(30)36(33(38)37(35-31)23-7-22-34)24-26-12-17-28(18-13-26)27-8-3-2-4-9-27/h2-6,8-21H,7,22-24,34H2,1H3/b21-16+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.20n/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...


J Med Chem 60: 9838-9859 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01525
BindingDB Entry DOI: 10.7270/Q2V1279D
More data for this
Ligand-Target Pair