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BDBM50262472 CHEMBL4077093

SMILES: CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1ccccc1F

InChI Key: InChIKey=VVWRYDUSTPQNJN-FMWDMEFWSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50262472   
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
Atrial natriuretic peptide receptor


(Homo sapiens (Human))		BDBM50262472
PNG
(CHEMBL4077093)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1ccccc1F |r,wU:11.14,wD:8.7,(40.95,-3.29,;39.62,-4.07,;39.63,-5.61,;38.28,-3.3,;36.95,-4.08,;36.96,-5.63,;35.62,-6.4,;35.62,-7.94,;36.95,-8.71,;36.95,-10.24,;38.27,-11.01,;39.61,-10.25,;39.62,-8.71,;38.28,-7.93,;40.94,-11.03,;42.28,-10.26,;42.28,-8.72,;43.61,-11.04,;44.94,-10.27,;46.27,-11.05,;46.26,-12.6,;44.92,-13.35,;44.91,-14.89,;43.6,-12.58,;34.29,-5.63,;32.96,-6.39,;31.63,-5.63,;31.63,-4.08,;32.96,-3.32,;34.29,-4.09,;35.62,-3.31,;30.3,-6.4,;30.31,-7.93,;28.98,-8.71,;27.64,-7.94,;27.63,-6.4,;28.97,-5.63,;28.96,-4.09,)|
Show InChI InChI=1S/C30H39FN6O/c1-19(2)32-30-35-27-15-10-20(24-8-4-5-9-26(24)31)17-25(27)28(36-30)33-22-11-13-23(14-12-22)34-29(38)21-7-6-16-37(3)18-21/h4-5,8-10,15,17,19,21-23H,6-7,11-14,16,18H2,1-3H3,(H,34,38)(H2,32,33,35,36)/t21?,22-,23-
PDB
MMDB

KEGG

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Similars
Article
PubMed
n/an/an/an/a 220n/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