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BDBM50452467 CHEMBL4218032

SMILES: CC(C)N[C@H]1C[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(N[C@H](C)CO)nc2ccc(cc12)-c1ccccc1

InChI Key: InChIKey=SGXRWXNSBFXSEC-VKQKEIENSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50452467   
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))
BDBM50452467
PNG
(CHEMBL4218032)
Show SMILES CC(C)N[C@H]1C[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(N[C@H](C)CO)nc2ccc(cc12)-c1ccccc1 |r,wU:14.18,22.24,4.3,wD:11.11,6.8,(53.52,-15.72,;52.19,-14.94,;52.21,-13.41,;50.86,-15.7,;49.53,-14.92,;48.05,-15.31,;47.67,-13.83,;49.15,-13.44,;46.35,-13.06,;46.36,-11.53,;45.02,-13.82,;43.69,-13.04,;43.69,-11.49,;42.36,-10.72,;41.02,-11.48,;41.02,-13.02,;42.35,-13.8,;39.69,-10.71,;39.7,-9.16,;41.04,-8.39,;41.05,-6.85,;42.39,-6.09,;43.71,-6.86,;43.7,-8.39,;45.03,-6.1,;46.36,-6.88,;39.72,-6.08,;38.38,-6.84,;37.05,-6.06,;35.7,-6.82,;35.69,-8.37,;37.03,-9.15,;38.37,-8.38,;34.35,-9.14,;34.35,-10.68,;33.01,-11.44,;31.68,-10.66,;31.68,-9.12,;33.02,-8.35,)|
Show InChI InChI=1S/C31H42N6O2/c1-19(2)32-26-15-23(16-26)30(39)35-25-12-10-24(11-13-25)34-29-27-17-22(21-7-5-4-6-8-21)9-14-28(27)36-31(37-29)33-20(3)18-38/h4-9,14,17,19-20,23-26,32,38H,10-13,15-16,18H2,1-3H3,(H,35,39)(H2,33,34,36,37)/t20-,23-,24-,25-,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 320n/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)
BDBM50452467
PNG
(CHEMBL4218032)
Show SMILES CC(C)N[C@H]1C[C@@H](C1)C(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(N[C@H](C)CO)nc2ccc(cc12)-c1ccccc1 |r,wU:14.18,22.24,4.3,wD:11.11,6.8,(53.52,-15.72,;52.19,-14.94,;52.21,-13.41,;50.86,-15.7,;49.53,-14.92,;48.05,-15.31,;47.67,-13.83,;49.15,-13.44,;46.35,-13.06,;46.36,-11.53,;45.02,-13.82,;43.69,-13.04,;43.69,-11.49,;42.36,-10.72,;41.02,-11.48,;41.02,-13.02,;42.35,-13.8,;39.69,-10.71,;39.7,-9.16,;41.04,-8.39,;41.05,-6.85,;42.39,-6.09,;43.71,-6.86,;43.7,-8.39,;45.03,-6.1,;46.36,-6.88,;39.72,-6.08,;38.38,-6.84,;37.05,-6.06,;35.7,-6.82,;35.69,-8.37,;37.03,-9.15,;38.37,-8.38,;34.35,-9.14,;34.35,-10.68,;33.01,-11.44,;31.68,-10.66,;31.68,-9.12,;33.02,-8.35,)|
Show InChI InChI=1S/C31H42N6O2/c1-19(2)32-26-15-23(16-26)30(39)35-25-12-10-24(11-13-25)34-29-27-17-22(21-7-5-4-6-8-21)9-14-28(27)36-31(37-29)33-20(3)18-38/h4-9,14,17,19-20,23-26,32,38H,10-13,15-16,18H2,1-3H3,(H,35,39)(H2,33,34,36,37)/t20-,23-,24-,25-,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.00E+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