Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Atrial natriuretic peptide receptor 1' and Ligand = 'BDBM50112326'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50112326 (Atrial natriuretic peptide analogue | CHEMBL413653) 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]2CCCN2C(=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/C78H121N27O19S4/c1-5-41(2)61-74(123)101-55(37-106)70(119)103-57(72(121)97-51(31-43-19-21-45(107)22-20-43)67(116)94-47(62(80)111)15-9-25-88-76(81)82)39-128-127-38-56(102-63(112)46(79)23-29-125-3)71(120)98-52(33-44-35-87-40-92-44)68(117)100-54(32-42-13-7-6-8-14-42)75(124)105-28-12-18-58(105)73(122)91-36-59(108)93-48(16-10-26-89-77(83)84)64(113)96-50(24-30-126-4)65(114)99-53(34-60(109)110)69(118)95-49(66(115)104-61)17-11-27-90-78(85)86/h6-8,13-14,19-22,35,40-41,46-58,61,106-107H,5,9-12,15-18,23-34,36-39,79H2,1-4H3,(H2,80,111)(H,87,92)(H,91,122)(H,93,108)(H,94,116)(H,95,118)(H,96,113)(H,97,121)(H,98,120)(H,99,114)(H,100,117)(H,101,123)(H,102,112)(H,103,119)(H,104,115)(H,109,110)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t41-,46-,47-,48-,49+,50+,51-,52-,53-,54+,55+,56-,57+,58-,61-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	108	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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