BDBM50097528 CHEMBL169020::Dithiocarbonic acid O-[17-(1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl] ester

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(S)=S

InChI Key: InChIKey=UMKIEPWBYIKAPS-AYPRRHFASA-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 3 hits for monomerid = 50097528   

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
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50097528 (CHEMBL169020 | Dithiocarbonic acid O-[17-(1,5-dime...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(S)=S Show InChI InChI=1S/C28H48OS2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29-26(30)31)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3,(H,30,31)/t19-,20+,21+,22+,23-,24+,25+,27+,28-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibitory activity tested against cell division cycle 25A (assay using p-nitro phenyl phosphate (pNPP) as substrate)				J Med Chem 44: 834-48 (2001) BindingDB Entry DOI: 10.7270/Q2C82B14
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50097528 (CHEMBL169020 | Dithiocarbonic acid O-[17-(1,5-dime...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(S)=S Show InChI InChI=1S/C28H48OS2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29-26(30)31)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3,(H,30,31)/t19-,20+,21+,22+,23-,24+,25+,27+,28-/m1/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)				J Med Chem 44: 834-48 (2001) BindingDB Entry DOI: 10.7270/Q2C82B14
					More data for this Ligand-Target Pair
Leukocyte common antigen (Homo sapiens (Human))	BDBM50097528 (CHEMBL169020 | Dithiocarbonic acid O-[17-(1,5-dime...) Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(S)=S Show InChI InChI=1S/C28H48OS2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29-26(30)31)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3,(H,30,31)/t19-,20+,21+,22+,23-,24+,25+,27+,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibitory activity tested against Human CD45 Phosphatase (assay using fluorescein diphosphate (FDP) as substrate)				J Med Chem 44: 834-48 (2001) BindingDB Entry DOI: 10.7270/Q2C82B14
					More data for this Ligand-Target Pair