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2 similar compounds to monomer 174843

Wt: 586.5
BDBM174842
Wt: 722.5
BDBM174844

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 174842,174844   
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
Bcl-xL/BAK


(Homo sapiens)
BDBM174844
PNG
(US9115061, XI)
Show SMILES Cc1cc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(O)c(O)cc2c1O
Show InChI InChI=1S/C38H24F6O8/c1-15-11-21-23(13-25(45)35(51)29(21)31(47)17-3-7-19(8-4-17)37(39,40)41)33(49)27(15)28-16(2)12-22-24(34(28)50)14-26(46)36(52)30(22)32(48)18-5-9-20(10-6-18)38(42,43)44/h3-14,45-46,49-52H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 250n/an/an/an/an/an/a



BURNHAM INSTITUTE FOR MEDICAL RESEARCH

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes) and purified ...


Citation and Details
More data for this
Ligand-Target Pair
Bcl-xL/BAK


(Homo sapiens)
BDBM174842
PNG
(US9115061, VII)
Show SMILES Cc1cc2c(C(=O)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3ccccc3)c(O)c(O)cc2c1O
Show InChI InChI=1S/C36H26O8/c1-17-13-21-23(15-25(37)35(43)29(21)31(39)19-9-5-3-6-10-19)33(41)27(17)28-18(2)14-22-24(34(28)42)16-26(38)36(44)30(22)32(40)20-11-7-4-8-12-20/h3-16,37-38,41-44H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.90E+3n/an/an/an/an/an/a



BURNHAM INSTITUTE FOR MEDICAL RESEARCH

US Patent


Assay Description
A Bak BH3 peptide (F-BakBH3) (GQVGRQLAIIGDDINR) was labeled at the N-terminus with fluorescein isothiocyanate (FITC) (Molecular Probes) and purified ...


Citation and Details
More data for this
Ligand-Target Pair