BDBM50258824 CHEMBL467872::nocathiacin acid

SMILES: CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(O)=O)[C@@H](C)O

InChI Key: InChIKey=ABFLENNUCCPFIK-PYICNBCASA-N

Data: 1 IC50

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 = 50258824   

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
Angiotensin II receptor (Homo sapiens (Human))	BDBM50258824 (CHEMBL467872 | nocathiacin acid) Show SMILES CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@](C)(O)[C@@H]([C@H](C)O1)N(C)C)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(O)=O)[C@@H](C)O |r| Show InChI InChI=1S/C58H56N12O18S5/c1-21(71)37-49(76)67-38(22(2)83-7)52-62-31(19-91-52)48(75)68-41-43-44(88-35-12-58(4,81)45(69(5)6)23(3)87-35)57(80)85-13-24-9-8-10-33-36(24)26(14-84-43)42(70(33)82)56(79)86-15-27(59-46(73)29-18-92-54(41)63-29)51-60-28(16-90-51)39-25(50-61-30(17-89-50)47(74)66-37)11-34(72)40(65-39)53-64-32(20-93-53)55(77)78/h8-11,16-21,23,27,35,37,41,43-45,71-72,81-82H,12-15H2,1-7H3,(H,59,73)(H,66,74)(H,67,76)(H,68,75)(H,77,78)/b38-22+/t21-,23+,27+,35+,37+,41+,43+,44+,45-,58+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of AT2 receptor (unknown origin)				Bioorg Med Chem Lett 19: 3531-5 (2009) Article DOI: 10.1016/j.bmcl.2009.04.144 BindingDB Entry DOI: 10.7270/Q2639PNQ
					More data for this Ligand-Target Pair