BDBM50112324 Atrial natriuretic peptide analogue::CHEMBL408343

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](C)NC(=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

InChI Key: InChIKey=ZDJBFUFWICQYTH-NSWFZEBLSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112324   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Atrial natriuretic peptide receptor (Homo sapiens (Human))	BDBM50112324 (Atrial natriuretic peptide analogue | CHEMBL408343) 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](C)NC(=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/C73H113N27O19S3/c1-5-37(2)57-70(119)97-51(33-101)67(116)99-53(69(118)95-48(27-40-17-19-42(102)20-18-40)64(113)91-44(58(75)107)14-9-22-83-71(76)77)35-122-121-34-52(98-60(109)43(74)21-25-120-4)68(117)96-49(28-41-30-82-36-88-41)65(114)94-47(26-39-12-7-6-8-13-39)61(110)87-31-54(103)86-32-55(104)90-45(15-10-23-84-72(78)79)62(111)89-38(3)59(108)93-50(29-56(105)106)66(115)92-46(63(112)100-57)16-11-24-85-73(80)81/h6-8,12-13,17-20,30,36-38,43-53,57,101-102H,5,9-11,14-16,21-29,31-35,74H2,1-4H3,(H2,75,107)(H,82,88)(H,86,103)(H,87,110)(H,89,111)(H,90,104)(H,91,113)(H,92,115)(H,93,108)(H,94,114)(H,95,118)(H,96,117)(H,97,119)(H,98,109)(H,99,116)(H,100,112)(H,105,106)(H4,76,77,83)(H4,78,79,84)(H4,80,81,85)/t37-,38+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53+,57-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	198	n/a	n/a	n/a	n/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
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