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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atrial natriuretic peptide receptor 1' and Ligand = 'BDBM50262473'   
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


(Homo sapiens (Human))
BDBM50262473
PNG
(CHEMBL4071795)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1cccc(F)c1 |r,wU:11.14,wD:8.7,(40.9,-16.35,;39.57,-17.12,;39.57,-18.66,;38.23,-16.36,;36.9,-17.14,;36.9,-18.69,;35.57,-19.46,;35.57,-21,;36.9,-21.77,;36.89,-23.3,;38.22,-24.07,;39.56,-23.31,;39.56,-21.77,;38.23,-20.99,;40.89,-24.09,;42.22,-23.32,;42.23,-21.78,;43.55,-24.1,;44.89,-23.33,;46.22,-24.11,;46.21,-25.65,;44.87,-26.41,;44.86,-27.95,;43.54,-25.64,;34.23,-18.69,;32.91,-19.45,;31.57,-18.69,;31.57,-17.14,;32.91,-16.37,;34.24,-17.15,;35.56,-16.37,;30.25,-19.46,;30.25,-20.99,;28.93,-21.77,;27.58,-21,;27.58,-19.46,;26.25,-18.69,;28.91,-18.69,)|
Show InChI InChI=1S/C30H39FN6O/c1-19(2)32-30-35-27-14-9-21(20-6-4-8-23(31)16-20)17-26(27)28(36-30)33-24-10-12-25(13-11-24)34-29(38)22-7-5-15-37(3)18-22/h4,6,8-9,14,16-17,19,22,24-25H,5,7,10-13,15,18H2,1-3H3,(H,34,38)(H2,32,33,35,36)/t22?,24-,25-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 73n/an/an/an/a



Asubio Pharma Co. Ltd, 6-4-3, Minatojima-Minamimachi, Chuo-ku, Kobe 650-0047, Japan. Electronic address: iwaki.takehiko.v7@asubio.co.jp.

Curated by ChEMBL


Assay Description
Agonist activity at human NPR-A expressed in CHO cells assessed as increase in intracellular cGMP accumulation after 30 mins in presence of 1-methyl-...


Bioorg Med Chem Lett 27: 4904-4907 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.028
BindingDB Entry DOI: 10.7270/Q279475J
More data for this
Ligand-Target Pair