BDBM50228215 CHEMBL3349651

SMILES: [H][C@]1([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6]1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])[#6@@H](-[#6])-[#6]-[#6])[#6@@H](-[#6])-[#6]-[#6]

InChI Key: InChIKey=AYCBRUDZNRVKGK-GWLSAQFNSA-N

Data: 1 KI

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 = 50228215   

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 2 (Homo sapiens (Human))	BDBM50228215 (CHEMBL3349651) Show SMILES [H][C@]1([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6]1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])[#6@@H](-[#6])-[#6]-[#6])[#6@@H](-[#6])-[#6]-[#6] Show InChI InChI=1S/C107H165N35O34S2/c1-8-53(5)84-102(173)124-43-79(151)125-55(7)86(157)129-64(30-31-76(109)148)92(163)138-71(47-144)90(161)123-44-81(153)127-65(35-52(3)4)88(159)122-45-82(154)128-74(100(171)134-68(39-77(110)149)96(167)139-73(49-146)98(169)133-67(37-57-21-14-11-15-22-57)95(166)130-62(24-17-33-118-106(113)114)91(162)136-70(104(175)176)38-58-26-28-59(147)29-27-58)50-177-178-51-75(140-99(170)72(48-145)137-87(158)60(108)46-143)101(172)132-66(36-56-19-12-10-13-20-56)89(160)121-41-78(150)120-42-80(152)126-61(23-16-32-117-105(111)112)93(164)142-85(54(6)9-2)103(174)135-69(40-83(155)156)97(168)131-63(94(165)141-84)25-18-34-119-107(115)116/h10-15,19-22,26-29,52-55,60-75,84-85,143-147H,8-9,16-18,23-25,30-51,108H2,1-7H3,(H2,109,148)(H2,110,149)(H,120,150)(H,121,160)(H,122,159)(H,123,161)(H,124,173)(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,157)(H,130,166)(H,131,168)(H,132,172)(H,133,169)(H,134,171)(H,135,174)(H,136,162)(H,137,158)(H,138,163)(H,139,167)(H,140,170)(H,141,165)(H,142,164)(H,155,156)(H,175,176)(H4,111,112,117)(H4,113,114,118)(H4,115,116,119)/t53-,54-,55-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,84-,85-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
G. D. Searle and Company Curated by ChEMBL					Assay Description Apparent binding constant against multiple binding sites				J Med Chem 32: 1094-8 (1989) BindingDB Entry DOI: 10.7270/Q26112J6
					More data for this Ligand-Target Pair