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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atrial natriuretic peptide receptor 3' and Ligand = 'BDBM50254089'   
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 3


(Homo sapiens (Human))
BDBM50254089
PNG
(CHEMBL4081715)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C66H112N24O18/c1-5-35(3)52(62(107)79-29-47(68)93)89-58(103)41(22-15-25-77-66(73)74)84-60(105)44(28-51(97)98)86-63(108)53(36(4)6-2)90-57(102)40(21-14-24-76-65(71)72)82-49(95)31-78-48(94)30-80-55(100)42(26-37-16-9-7-10-17-37)83-50(96)32-81-56(101)45(33-91)88-59(104)43(27-38-18-11-8-12-19-38)85-61(106)46(34-92)87-54(99)39(67)20-13-23-75-64(69)70/h8,11-12,18-19,35-37,39-46,52-53,91-92H,5-7,9-10,13-17,20-34,67H2,1-4H3,(H2,68,93)(H,78,94)(H,79,107)(H,80,100)(H,81,101)(H,82,95)(H,83,96)(H,84,105)(H,85,106)(H,86,108)(H,87,99)(H,88,104)(H,89,103)(H,90,102)(H,97,98)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t35-,36-,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...


Bioorg Med Chem Lett 27: 3542-3545 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.061
BindingDB Entry DOI: 10.7270/Q2F19241
More data for this
Ligand-Target Pair