BDBM50465345 18-OXOFERRUGINOL::18-Oxoferruginol

SMILES: [H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]1(C)CCC[C@@]2(C)C=O

InChI Key: InChIKey=BYISLTMARMJFNI-SLFFLAALSA-N

Data: 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 = 50465345   

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
Lysine--tRNA ligase (Homo sapiens (Human))	BDBM50465345 (18-OXOFERRUGINOL | 18-Oxoferruginol | acs.jmedchem...) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]1(C)CCC[C@@]2(C)C=O |r| Show InChI InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3/t18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50465345 (18-OXOFERRUGINOL | 18-Oxoferruginol | acs.jmedchem...) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]1(C)CCC[C@@]2(C)C=O |r| Show InChI InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3/t18-,19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50465345 (18-OXOFERRUGINOL | 18-Oxoferruginol | acs.jmedchem...) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]1(C)CCC[C@@]2(C)C=O |r| Show InChI InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3/t18-,19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease after 60 mins by FRET assay				Bioorg Med Chem 18: 7940-7 (2010) Article DOI: 10.1016/j.bmc.2010.09.035 BindingDB Entry DOI: 10.7270/Q2MG7SBP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50465345 (18-OXOFERRUGINOL | 18-Oxoferruginol | acs.jmedchem...) Show SMILES [H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]1(C)CCC[C@@]2(C)C=O |r| Show InChI InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3/t18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Yunnan University Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by mobility shift assay				J Nat Prod 81: 998-1006 (2018) Article DOI: 10.1021/acs.jnatprod.7b01082 BindingDB Entry DOI: 10.7270/Q2P84FK3
					More data for this Ligand-Target Pair