BDBM50378798 CYTOSPORONE B

SMILES: CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC

InChI Key: InChIKey=UVVWQQKSNZLUQA-UHFFFAOYSA-N

Data: 2 Kd  2 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50378798   

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
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM50378798 (CYTOSPORONE B) Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a
Xiamen University Curated by ChEMBL					Assay Description Binding affinity to NuR77-LBD receptor expressed in human BGC823 cells				Nat Chem Biol 4: 548-56 (2008) Article DOI: 10.1038/nchembio.106 BindingDB Entry DOI: 10.7270/Q2959JHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM50378798 (CYTOSPORONE B) Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a
Xiamen University Curated by ChEMBL					Assay Description Binding affinity to Nur77 receptor expressed in human BGC823 cells				Nat Chem Biol 4: 548-56 (2008) Article DOI: 10.1038/nchembio.106 BindingDB Entry DOI: 10.7270/Q2959JHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM50378798 (CYTOSPORONE B) Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	0.278	n/a	n/a	n/a	n/a
Xiamen University Curated by ChEMBL					Assay Description Agonist activity at nuclear orphan receptor Nur77 expressed in human BGC823 cells co-transfected with fused GAL4-Nur77 assessed as transactivation af...				Nat Chem Biol 4: 548-56 (2008) Article DOI: 10.1038/nchembio.106 BindingDB Entry DOI: 10.7270/Q2959JHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM50378798 (CYTOSPORONE B) Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	0.115	n/a	n/a	n/a	n/a
Xiamen University Curated by ChEMBL					Assay Description Agonist activity at nuclear orphan receptor Nur77 expressed in human BGC823 cells co-transfected with fused GAL4-LBD assessed as transactivation afte...				Nat Chem Biol 4: 548-56 (2008) Article DOI: 10.1038/nchembio.106 BindingDB Entry DOI: 10.7270/Q2959JHW
					More data for this Ligand-Target Pair				3D Structure (crystal)