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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 = 'BDBM50112320'   
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))		BDBM50112320
PNG
(Atrial natriuretic peptide analogue | CHEMBL405572...)
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]2CCCN2C(=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/C74H112N24O19S4/c1-5-39(2)59-72(117)94-52(35-99)68(113)96-54(70(115)91-49(29-41-17-19-43(100)20-18-41)65(110)87-45(60(76)105)14-9-23-82-73(77)78)37-121-120-36-53(95-61(106)44(75)21-26-118-3)69(114)92-50(30-42-32-81-38-86-42)66(111)90-48(28-40-12-7-6-8-13-40)62(107)85-33-56(101)84-34-57(102)98-25-11-16-55(98)71(116)89-47(22-27-119-4)63(108)93-51(31-58(103)104)67(112)88-46(64(109)97-59)15-10-24-83-74(79)80/h6-8,12-13,17-20,32,38-39,44-55,59,99-100H,5,9-11,14-16,21-31,33-37,75H2,1-4H3,(H2,76,105)(H,81,86)(H,84,101)(H,85,107)(H,87,110)(H,88,112)(H,89,116)(H,90,111)(H,91,115)(H,92,114)(H,93,108)(H,94,117)(H,95,106)(H,96,113)(H,97,109)(H,103,104)(H4,77,78,82)(H4,79,80,83)/t39-,44-,45-,46+,47+,48+,49-,50-,51-,52+,53-,54+,55-,59-/m0/s1
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 4.90n/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