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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Atrial natriuretic peptide receptor 1' and Ligand = 'BDBM50230984'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Atrial natriuretic peptide receptor 1


(Rattus norvegicus)
BDBM50230984
PNG
(CHEMBL4099832)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(CCCC)C(=O)N=C3N)cc2)n1 |c:19,58|
Show InChI InChI=1S/C28H38N20O2.2C2HF3O2/c1-3-5-7-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-9-11-14(12-10-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(8-6-4-2)18(50)38-22(48)34;2*3-2(4,5)1(6)7/h9-12,15-16H,3-8H2,1-2H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);2*(H,6,7)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 23n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 15 mins by fluorescent assay


Bioorg Med Chem 25: 1762-1769 (2017)


Article DOI: 10.1016/j.bmc.2017.01.026
BindingDB Entry DOI: 10.7270/Q2VX0JR5
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))
BDBM50230984
PNG
(CHEMBL4099832)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCC1N(C(N)=NC1=O)c1nc(NC(N)=N)nc(Nc2ccc(Nc3nc(NC(N)=N)nc(n3)N3C(CCCC)C(=O)N=C3N)cc2)n1 |c:19,58|
Show InChI InChI=1S/C28H38N20O2.2C2HF3O2/c1-3-5-7-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-9-11-14(12-10-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(8-6-4-2)18(50)38-22(48)34;2*3-2(4,5)1(6)7/h9-12,15-16H,3-8H2,1-2H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);2*(H,6,7)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay


Bioorg Med Chem 25: 1762-1769 (2017)


Article DOI: 10.1016/j.bmc.2017.01.026
BindingDB Entry DOI: 10.7270/Q2VX0JR5
More data for this
Ligand-Target Pair