BDBM50064186 (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one::CHEMBL290814::bafilomycin A1
SMILES: CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C
InChI Key: InChIKey=XDHNQDDQEHDUTM-JQWOJBOSSA-N
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)) | BDBM50064186 ((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.08E+3 | 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)) | BDBM50064186 ((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 755 | 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 | |||||||||||||
Vacuolar ATP synthase subunit S1 (Homo sapiens (Human)) | BDBM50064186 ((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham S.p.A. Curated by ChEMBL | Assay Description Compound was tested for inhibititon of V-ATPase from Chicken osteoclasts(cOc) | J Med Chem 41: 1568-73 (1998) Article DOI: 10.1021/jm9800144 BindingDB Entry DOI: 10.7270/Q2CJ8CM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosinetriphosphatase (Gallus gallus) | BDBM50064186 ((3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D M£lndal Curated by ChEMBL | Assay Description Compound was tested for inhibition of osteoclast vacuolar ATPase derived from chicken medullary bone | Bioorg Med Chem Lett 10: 503-7 (2000) BindingDB Entry DOI: 10.7270/Q2542P4C | |||||||||||
More data for this Ligand-Target Pair |