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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 = 'BDBM50452463'   
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))
BDBM50452463
PNG
(CHEMBL4206328)
Show SMILES C[C@H](CO)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)NC2CCCN(C)C2)c2cc(ccc2n1)-c1cccc(F)c1 |r,wU:9.8,12.15,1.0,(15.1,-7.01,;15.11,-5.48,;16.43,-4.73,;17.75,-5.51,;13.79,-4.72,;12.45,-5.48,;12.45,-7.02,;11.11,-7.78,;11.1,-9.32,;12.43,-10.1,;12.42,-11.64,;13.75,-12.42,;15.09,-11.65,;15.1,-10.11,;13.77,-9.34,;16.42,-12.43,;17.75,-11.67,;17.76,-10.15,;19.07,-12.45,;20.4,-11.69,;20.41,-10.15,;21.75,-9.4,;23.07,-10.18,;23.06,-11.71,;24.38,-12.49,;21.73,-12.46,;9.78,-7,;8.44,-7.77,;7.11,-6.99,;7.12,-5.45,;8.46,-4.69,;9.79,-5.46,;11.12,-4.7,;5.77,-7.76,;5.76,-9.3,;4.43,-10.06,;3.1,-9.28,;3.11,-7.74,;1.78,-6.97,;4.44,-6.98,)|
Show InChI InChI=1S/C30H40FN7O2/c1-19(18-39)32-29-36-27-13-8-21(20-5-3-6-22(31)15-20)16-26(27)28(37-29)33-23-9-11-24(12-10-23)34-30(40)35-25-7-4-14-38(2)17-25/h3,5-6,8,13,15-16,19,23-25,39H,4,7,9-12,14,17-18H2,1-2H3,(H2,34,35,40)(H2,32,33,36,37)/t19-,23-,24+,25?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 780n/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: 6680-6694 (2017)


Article DOI: 10.1016/j.bmc.2017.11.006
BindingDB Entry DOI: 10.7270/Q2ZW1PG6
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Rattus norvegicus)
BDBM50452463
PNG
(CHEMBL4206328)
Show SMILES C[C@H](CO)Nc1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)NC2CCCN(C)C2)c2cc(ccc2n1)-c1cccc(F)c1 |r,wU:9.8,12.15,1.0,(15.1,-7.01,;15.11,-5.48,;16.43,-4.73,;17.75,-5.51,;13.79,-4.72,;12.45,-5.48,;12.45,-7.02,;11.11,-7.78,;11.1,-9.32,;12.43,-10.1,;12.42,-11.64,;13.75,-12.42,;15.09,-11.65,;15.1,-10.11,;13.77,-9.34,;16.42,-12.43,;17.75,-11.67,;17.76,-10.15,;19.07,-12.45,;20.4,-11.69,;20.41,-10.15,;21.75,-9.4,;23.07,-10.18,;23.06,-11.71,;24.38,-12.49,;21.73,-12.46,;9.78,-7,;8.44,-7.77,;7.11,-6.99,;7.12,-5.45,;8.46,-4.69,;9.79,-5.46,;11.12,-4.7,;5.77,-7.76,;5.76,-9.3,;4.43,-10.06,;3.1,-9.28,;3.11,-7.74,;1.78,-6.97,;4.44,-6.98,)|
Show InChI InChI=1S/C30H40FN7O2/c1-19(18-39)32-29-36-27-13-8-21(20-5-3-6-22(31)15-20)16-26(27)28(37-29)33-23-9-11-24(12-10-23)34-30(40)35-25-7-4-14-38(2)17-25/h3,5-6,8,13,15-16,19,23-25,39H,4,7,9-12,14,17-18H2,1-2H3,(H2,34,35,40)(H2,32,33,36,37)/t19-,23-,24+,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.20E+3n/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: 6680-6694 (2017)


Article DOI: 10.1016/j.bmc.2017.11.006
BindingDB Entry DOI: 10.7270/Q2ZW1PG6
More data for this
Ligand-Target Pair