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BDBM50262459 CHEMBL4093843

SMILES: CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2ccc(cc2n1)-c1ccccc1

InChI Key: InChIKey=FLGZPYKXGSMERW-FBQBJMIQSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50262459   
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))		BDBM50262459
PNG
(CHEMBL4093843)
Show SMILES CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2ccc(cc2n1)-c1ccccc1 |r,wU:11.14,wD:8.7,(18.57,-18.93,;17.24,-19.71,;17.25,-21.25,;15.91,-18.94,;14.58,-19.72,;14.58,-21.27,;13.24,-22.04,;13.24,-23.58,;14.58,-24.35,;14.57,-25.88,;15.9,-26.65,;17.23,-25.89,;17.24,-24.35,;15.9,-23.57,;18.56,-26.67,;19.9,-25.9,;19.91,-24.36,;21.23,-26.68,;22.56,-25.91,;23.9,-26.69,;23.89,-28.23,;22.54,-28.99,;22.53,-30.53,;21.22,-28.22,;11.91,-21.27,;10.58,-22.03,;9.25,-21.27,;9.25,-19.72,;10.58,-18.96,;11.91,-19.73,;13.24,-18.95,;7.92,-18.95,;7.92,-17.41,;6.59,-16.64,;5.25,-17.41,;5.26,-18.96,;6.59,-19.72,)|
Show InChI InChI=1S/C30H40N6O/c1-20(2)31-30-34-27-18-22(21-8-5-4-6-9-21)11-16-26(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-
PDB
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KEGG

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PC cid
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Similars
Article
PubMed
n/an/an/an/a 3.40E+3n/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