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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 = 'BDBM50452457'   
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))
BDBM50452457
PNG
(CHEMBL4213559)
Show SMILES CC(C)[C@H](CO)NC(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N[C@H](C)CO)nc2ccc(cc12)-c1cccc(F)c1 |r,wU:13.16,10.9,21.22,wD:3.2,(21.75,-9.39,;20.42,-10.15,;19.1,-9.37,;20.41,-11.68,;21.73,-12.46,;23.06,-11.7,;19.07,-12.44,;17.75,-11.67,;17.76,-10.15,;16.42,-12.43,;15.09,-11.65,;13.75,-12.42,;12.42,-11.64,;12.43,-10.1,;13.77,-9.34,;15.09,-10.11,;11.1,-9.32,;11.11,-7.78,;12.45,-7.02,;12.45,-5.48,;13.79,-4.72,;15.11,-5.48,;15.1,-7.02,;16.44,-4.72,;17.76,-5.49,;11.12,-4.7,;9.79,-5.46,;8.46,-4.69,;7.11,-5.45,;7.11,-6.99,;8.44,-7.77,;9.78,-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/C29H39FN6O3/c1-17(2)26(16-38)35-29(39)33-23-10-8-22(9-11-23)32-27-24-14-20(19-5-4-6-21(30)13-19)7-12-25(24)34-28(36-27)31-18(3)15-37/h4-7,12-14,17-18,22-23,26,37-38H,8-11,15-16H2,1-3H3,(H2,33,35,39)(H2,31,32,34,36)/t18-,22-,23+,26+/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 71n/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)
BDBM50452457
PNG
(CHEMBL4213559)
Show SMILES CC(C)[C@H](CO)NC(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N[C@H](C)CO)nc2ccc(cc12)-c1cccc(F)c1 |r,wU:13.16,10.9,21.22,wD:3.2,(21.75,-9.39,;20.42,-10.15,;19.1,-9.37,;20.41,-11.68,;21.73,-12.46,;23.06,-11.7,;19.07,-12.44,;17.75,-11.67,;17.76,-10.15,;16.42,-12.43,;15.09,-11.65,;13.75,-12.42,;12.42,-11.64,;12.43,-10.1,;13.77,-9.34,;15.09,-10.11,;11.1,-9.32,;11.11,-7.78,;12.45,-7.02,;12.45,-5.48,;13.79,-4.72,;15.11,-5.48,;15.1,-7.02,;16.44,-4.72,;17.76,-5.49,;11.12,-4.7,;9.79,-5.46,;8.46,-4.69,;7.11,-5.45,;7.11,-6.99,;8.44,-7.77,;9.78,-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/C29H39FN6O3/c1-17(2)26(16-38)35-29(39)33-23-10-8-22(9-11-23)32-27-24-14-20(19-5-4-6-21(30)13-19)7-12-25(24)34-28(36-27)31-18(3)15-37/h4-7,12-14,17-18,22-23,26,37-38H,8-11,15-16H2,1-3H3,(H2,33,35,39)(H2,31,32,34,36)/t18-,22-,23+,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 65n/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