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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 = 'BDBM50112323'   
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))		BDBM50112323
PNG
(Atrial natriuretic peptide analogue | CHEMBL414517)
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]2CCCN2C(=O)[C@@H](CCCNC(N)=N)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/C75H115N27O19S3/c1-4-39(2)59-71(120)98-52(35-103)67(116)100-54(69(118)95-49(29-41-18-20-43(104)21-19-41)64(113)92-45(60(77)109)14-8-23-85-73(78)79)37-124-123-36-53(99-61(110)44(76)22-27-122-3)68(117)96-50(30-42-32-84-38-90-42)65(114)94-48(28-40-12-6-5-7-13-40)62(111)89-33-56(105)88-34-57(106)91-47(16-10-25-87-75(82)83)72(121)102-26-11-17-55(102)70(119)97-51(31-58(107)108)66(115)93-46(63(112)101-59)15-9-24-86-74(80)81/h5-7,12-13,18-21,32,38-39,44-55,59,103-104H,4,8-11,14-17,22-31,33-37,76H2,1-3H3,(H2,77,109)(H,84,90)(H,88,105)(H,89,111)(H,91,106)(H,92,113)(H,93,115)(H,94,114)(H,95,118)(H,96,117)(H,97,119)(H,98,120)(H,99,110)(H,100,116)(H,101,112)(H,107,108)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t39-,44-,45-,46-,47+,48+,49-,50-,51+,52-,53-,54-,55-,59+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
PubMed
n/an/an/an/a 66n/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