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BDBM50088251 4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-spirobi[2,3-dihydro-1H-indene]-5,5',6,6'-tetraol::CHEMBL65504

SMILES: CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br

InChI Key: InChIKey=SCVDYKNGBCEKLQ-UHFFFAOYSA-N

Data: 4 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 = 50088251   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50088251
PNG
(4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-sp...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br
Show InChI InChI=1S/C21H20Br4O4/c1-19(2)5-21(9-7(19)11(22)15(26)17(28)13(9)24)6-20(3,4)8-10(21)14(25)18(29)16(27)12(8)23/h26-29H,5-6H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.14E+3n/an/an/an/an/an/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
Topoiomerase 1B


(Molluscum contagiosum virus subtype 1)
BDBM50088251
PNG
(4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-sp...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br
Show InChI InChI=1S/C21H20Br4O4/c1-19(2)5-21(9-7(19)11(22)15(26)17(28)13(9)24)6-20(3,4)8-10(21)14(25)18(29)16(27)12(8)23/h26-29H,5-6H2,1-4H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
DNA cleavage and religation activity as inhibition of type 1B topoisomerase of molluscum contagiosum virus (MCV)


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)
BDBM50088251
PNG
(4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-sp...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br
Show InChI InChI=1S/C21H20Br4O4/c1-19(2)5-21(9-7(19)11(22)15(26)17(28)13(9)24)6-20(3,4)8-10(21)14(25)18(29)16(27)12(8)23/h26-29H,5-6H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50088251
PNG
(4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-sp...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br
Show InChI InChI=1S/C21H20Br4O4/c1-19(2)5-21(9-7(19)11(22)15(26)17(28)13(9)24)6-20(3,4)8-10(21)14(25)18(29)16(27)12(8)23/h26-29H,5-6H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/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