BDBM50088262 3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-6,6'-diol disulphate::CHEMBL304673

SMILES: CC1(C)CC2(CC(C)(C)c3ccc(OS([O-])(=O)=O)cc23)c2cc(OS([O-])(=O)=O)ccc12

InChI Key: InChIKey=KDSVCEVNYWAYOL-UHFFFAOYSA-L

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 = 50088262   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50088262 (3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-6,6'-dio...) Show SMILES CC1(C)CC2(CC(C)(C)c3ccc(OS([O-])(=O)=O)cc23)c2cc(OS([O-])(=O)=O)ccc12 Show InChI InChI=1S/C21H24O8S2/c1-19(2)11-21(17-9-13(5-7-15(17)19)28-30(22,23)24)12-20(3,4)16-8-6-14(10-18(16)21)29-31(25,26)27/h5-10H,11-12H2,1-4H3,(H,22,23,24)(H,25,26,27)/p-2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of strand -transfer (ST) activity in the presence of Mn2+				J Med Chem 43: 2031-9 (2000) BindingDB Entry DOI: 10.7270/Q2B56J0B
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50088262 (3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-6,6'-dio...) Show SMILES CC1(C)CC2(CC(C)(C)c3ccc(OS([O-])(=O)=O)cc23)c2cc(OS([O-])(=O)=O)ccc12 Show InChI InChI=1S/C21H24O8S2/c1-19(2)11-21(17-9-13(5-7-15(17)19)28-30(22,23)24)12-20(3,4)16-8-6-14(10-18(16)21)29-31(25,26)27/h5-10H,11-12H2,1-4H3,(H,22,23,24)(H,25,26,27)/p-2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of 3'-processing (TC) in the presence of Mn2+ in vitro				J Med Chem 43: 2031-9 (2000) BindingDB Entry DOI: 10.7270/Q2B56J0B
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50088262 (3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-6,6'-dio...) Show SMILES CC1(C)CC2(CC(C)(C)c3ccc(OS([O-])(=O)=O)cc23)c2cc(OS([O-])(=O)=O)ccc12 Show InChI InChI=1S/C21H24O8S2/c1-19(2)11-21(17-9-13(5-7-15(17)19)28-30(22,23)24)12-20(3,4)16-8-6-14(10-18(16)21)29-31(25,26)27/h5-10H,11-12H2,1-4H3,(H,22,23,24)(H,25,26,27)/p-2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Tested in vitro against strand -transfer (ST) activity in the presence of Mg2+ as the cationic cofactor				J Med Chem 43: 2031-9 (2000) BindingDB Entry DOI: 10.7270/Q2B56J0B
					More data for this Ligand-Target Pair