BDBM50483929 ARCHAZOLID F::Archazolid F::CHEBI:67525

SMILES: CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(\C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C

InChI Key: InChIKey=WRJITTKUXGEQBF-KJKBHKFMSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50483929   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50483929 (ARCHAZOLID F | Archazolid F | CHEBI:67525) Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(\C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |r,t:21,24,30,33,36,46,48| Show InChI InChI=1S/C41H60N2O7S/c1-25(2)20-36(49-41(47)42-10)40-43-33(24-51-40)39-30(7)16-13-15-29(6)38(48-11)32(9)34(44)19-18-27(4)21-28(5)22-31(8)35(45)23-26(3)14-12-17-37(46)50-39/h12-16,18-19,21-25,30-32,34-36,38-39,44-45H,17,20H2,1-11H3,(H,42,47)/b14-12+,16-13+,19-18+,26-23+,27-21-,28-22-,29-15+/t30-,31-,32-,34+,35+,36-,38+,39-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	859	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human A3 adenosine receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting me...				J Med Chem 63: 1684-1698 (2020) Article DOI: 10.1021/acs.jmedchem.9b01887
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM50483929 (ARCHAZOLID F | Archazolid F | CHEBI:67525) Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(\C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |r,t:21,24,30,33,36,46,48| Show InChI InChI=1S/C41H60N2O7S/c1-25(2)20-36(49-41(47)42-10)40-43-33(24-51-40)39-30(7)16-13-15-29(6)38(48-11)32(9)34(44)19-18-27(4)21-28(5)22-31(8)35(45)23-26(3)14-12-17-37(46)50-39/h12-16,18-19,21-25,30-32,34-36,38-39,44-45H,17,20H2,1-11H3,(H,42,47)/b14-12+,16-13+,19-18+,26-23+,27-21-,28-22-,29-15+/t30-,31-,32-,34+,35+,36-,38+,39-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	438	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Bonn Curated by ChEMBL					Assay Description Inhibition of human P2X3 assessed as reduction in agonist-induced intracellular Ca2+ concentration pre-incubated for 30 mins before agonist addition ...				J Med Chem 63: 1684-1698 (2020) Article DOI: 10.1021/acs.jmedchem.9b01887
					More data for this Ligand-Target Pair
V-type proton ATPase subunit B (Manduca sexta)	BDBM50483929 (ARCHAZOLID F | Archazolid F | CHEBI:67525) Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(\C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |r,t:21,24,30,33,36,46,48| Show InChI InChI=1S/C41H60N2O7S/c1-25(2)20-36(49-41(47)42-10)40-43-33(24-51-40)39-30(7)16-13-15-29(6)38(48-11)32(9)34(44)19-18-27(4)21-28(5)22-31(8)35(45)23-26(3)14-12-17-37(46)50-39/h12-16,18-19,21-25,30-32,34-36,38-39,44-45H,17,20H2,1-11H3,(H,42,47)/b14-12+,16-13+,19-18+,26-23+,27-21-,28-22-,29-15+/t30-,31-,32-,34+,35+,36-,38+,39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Ruprecht-Karls-Universit£t Heidelberg Curated by ChEMBL					Assay Description Inhibition of Manduca sexta V-ATPase V1/Vo holoenzyme activity assessed as inorganic phosphate production pretreated for 5 mins				J Nat Prod 74: 1100-5 (2011) Article DOI: 10.1021/np200036v BindingDB Entry DOI: 10.7270/Q27S7RN0
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50483929 (ARCHAZOLID F | Archazolid F | CHEBI:67525) Show SMILES CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)C\C=C\C(\C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |r,t:21,24,30,33,36,46,48| Show InChI InChI=1S/C41H60N2O7S/c1-25(2)20-36(49-41(47)42-10)40-43-33(24-51-40)39-30(7)16-13-15-29(6)38(48-11)32(9)34(44)19-18-27(4)21-28(5)22-31(8)35(45)23-26(3)14-12-17-37(46)50-39/h12-16,18-19,21-25,30-32,34-36,38-39,44-45H,17,20H2,1-11H3,(H,42,47)/b14-12+,16-13+,19-18+,26-23+,27-21-,28-22-,29-15+/t30-,31-,32-,34+,35+,36-,38+,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Bonn Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase assessed as reduction in pNA release using chromogenic MeO-Suc-Ala-Ala-Pro-Val-pNA substrate measured over 10 ...				J Med Chem 63: 1684-1698 (2020) Article DOI: 10.1021/acs.jmedchem.9b01887
					More data for this Ligand-Target Pair