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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 = 'BDBM50262458'   
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))		BDBM50262458
PNG
(CHEMBL4073156)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2cc(ccc2n1)-c1ccccc1 |r,wU:11.14,wD:8.7,(18.04,-4.15,;16.71,-4.93,;16.71,-6.47,;15.37,-4.16,;14.04,-4.94,;14.05,-6.49,;12.71,-7.26,;12.71,-8.8,;14.04,-9.57,;14.03,-11.11,;15.36,-11.88,;16.7,-11.11,;16.7,-9.57,;15.37,-8.79,;18.03,-11.89,;19.37,-11.13,;19.37,-9.59,;20.7,-11.9,;22.03,-11.13,;23.36,-11.92,;23.35,-13.46,;22.01,-14.22,;22,-15.76,;20.69,-13.44,;11.37,-6.49,;10.05,-7.26,;8.72,-6.49,;8.71,-4.95,;10.05,-4.18,;11.38,-4.95,;12.7,-4.18,;7.39,-7.26,;6.05,-6.49,;4.72,-7.27,;4.72,-8.81,;6.07,-9.57,;7.4,-8.8,)|
Show InChI InChI=1S/C30H40N6O/c1-20(2)31-30-34-27-16-11-22(21-8-5-4-6-9-21)18-26(27)28(35-30)32-24-12-14-25(15-13-24)33-29(37)23-10-7-17-36(3)19-23/h4-6,8-9,11,16,18,20,23-25H,7,10,12-15,17,19H2,1-3H3,(H,33,37)(H2,31,32,34,35)/t23?,24-,25-
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KEGG

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PC cid
PC sid
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Similars
Article
PubMed
n/an/an/an/a 170n/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