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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 = 'BDBM50112316'   
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))
BDBM50112316
PNG
(Atrial natriuretic peptide analogue | CHEMBL384862)
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](CCCNC(N)=N)NC(=O)CCCNC(=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](CCNC(N)=N)C(N)=O)NC(=O)[C@@H](N)CCSC
Show InChI InChI=1S/C74H116N26O18S4/c1-5-39(2)58-71(118)97-53(35-101)68(115)99-55(70(117)94-50(31-41-17-19-43(102)20-18-41)65(112)90-45(59(76)106)21-27-87-74(81)82)37-122-121-36-54(98-60(107)44(75)22-28-119-3)69(116)95-51(32-42-34-83-38-88-42)66(113)93-49(30-40-12-7-6-8-13-40)61(108)84-24-11-16-56(103)89-46(14-9-25-85-72(77)78)62(109)92-48(23-29-120-4)63(110)96-52(33-57(104)105)67(114)91-47(64(111)100-58)15-10-26-86-73(79)80/h6-8,12-13,17-20,34,38-39,44-55,58,101-102H,5,9-11,14-16,21-33,35-37,75H2,1-4H3,(H2,76,106)(H,83,88)(H,84,108)(H,89,103)(H,90,112)(H,91,114)(H,92,109)(H,93,113)(H,94,117)(H,95,116)(H,96,110)(H,97,118)(H,98,107)(H,99,115)(H,100,111)(H,104,105)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t39-,44-,45-,46+,47-,48-,49+,50-,51-,52+,53-,54-,55-,58+/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 8.30n/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