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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atrial natriuretic peptide receptor' and Ligand = 'BDBM50112317'   
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


(Homo sapiens (Human))
BDBM50112317
PNG
(Atrial natriuretic peptide analogue | CHEMBL439465...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](CO)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C72H110N24O19S4/c1-6-37(2)57-70(115)93-51(33-97)67(112)95-53(69(114)90-48(27-40-16-18-42(98)19-17-40)64(109)86-44(58(74)103)14-10-22-80-71(75)76)35-119-118-34-52(94-60(105)43(73)20-24-116-4)68(113)91-49(28-41-30-79-36-84-41)65(110)89-47(26-39-12-8-7-9-13-39)61(106)83-31-54(99)82-32-55(100)85-38(3)59(104)87-46(21-25-117-5)62(107)92-50(29-56(101)102)66(111)88-45(63(108)96-57)15-11-23-81-72(77)78/h7-9,12-13,16-19,30,36-38,43-53,57,97-98H,6,10-11,14-15,20-29,31-35,73H2,1-5H3,(H2,74,103)(H,79,84)(H,82,99)(H,83,106)(H,85,100)(H,86,109)(H,87,104)(H,88,111)(H,89,110)(H,90,114)(H,91,113)(H,92,107)(H,93,115)(H,94,105)(H,95,112)(H,96,108)(H,101,102)(H4,75,76,80)(H4,77,78,81)/t37-,38-,43-,44-,45+,46+,47+,48-,49-,50-,51+,52-,53+,57-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Production of c-GMP in CHO cells expressing natriuretic peptide receptor (NPR-A) in response to compound


Bioorg Med Chem Lett 12: 1245-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00148-8
BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair