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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atrial natriuretic peptide receptor 1' and Ligand = 'BDBM50112325'   
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))		BDBM50112325
PNG
(Atrial natriuretic peptide analogue | CHEMBL402664)
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)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/C73H114N26O18S4/c1-5-38(2)57-70(117)96-52(34-100)67(114)98-54(69(116)93-49(29-40-17-19-42(101)20-18-40)64(111)89-44(58(75)105)14-9-23-83-71(76)77)36-121-120-35-53(97-59(106)43(74)21-26-118-3)68(115)94-50(30-41-32-82-37-87-41)65(112)92-48(28-39-12-7-6-8-13-39)60(107)86-33-55(102)88-45(15-10-24-84-72(78)79)61(108)91-47(22-27-119-4)62(109)95-51(31-56(103)104)66(113)90-46(63(110)99-57)16-11-25-85-73(80)81/h6-8,12-13,17-20,32,37-38,43-54,57,100-101H,5,9-11,14-16,21-31,33-36,74H2,1-4H3,(H2,75,105)(H,82,87)(H,86,107)(H,88,102)(H,89,111)(H,90,113)(H,91,108)(H,92,112)(H,93,116)(H,94,115)(H,95,109)(H,96,117)(H,97,106)(H,98,114)(H,99,110)(H,103,104)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t38-,43-,44-,45-,46+,47+,48-,49-,50+,51-,52+,53-,54+,57-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 215n/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)


BindingDB Entry DOI: 10.7270/Q22R3QZ6
More data for this
Ligand-Target Pair