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BDBM174843 US9115061, VIII

SMILES: Cc1cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c1O

InChI Key: InChIKey=GBLSESKAVMAIIN-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 174843   
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-2-like protein 1


(Homo sapiens)
BDBM174843
PNG
(US9115061, VIII)
Show SMILES Cc1cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c1O
Show InChI InChI=1S/C44H30O8/c1-21-17-29-31(19-33(45)43(51)37(29)39(47)27-15-7-11-23-9-3-5-13-25(23)27)41(49)35(21)36-22(2)18-30-32(42(36)50)20-34(46)44(52)38(30)40(48)28-16-8-12-24-10-4-6-14-26(24)28/h3-20,45-46,49-52H,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/an/a 2.75E+3n/an/an/an/an/a



BURNHAM INSTITUTE FOR MEDICAL RESEARCH

US Patent


Assay Description
Titrations were performed using a VP-ITC or ITC200 calorimeter from Microcal (Northampton, Mass.). BCL-XL was used at concentrations between 25 and 1...


US Patent US9115061 (2015)


BindingDB Entry DOI: 10.7270/Q2TB15PX
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM174843
PNG
(US9115061, VIII)
Show SMILES Cc1cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3cccc4ccccc34)c(O)c(O)cc2c1O
Show InChI InChI=1S/C44H30O8/c1-21-17-29-31(19-33(45)43(51)37(29)39(47)27-15-7-11-23-9-3-5-13-25(23)27)41(49)35(21)36-22(2)18-30-32(42(36)50)20-34(46)44(52)38(30)40(48)28-16-8-12-24-10-4-6-14-26(24)28/h3-20,45-46,49-52H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 160n/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 ...


US Patent US9115061 (2015)


BindingDB Entry DOI: 10.7270/Q2TB15PX
More data for this
Ligand-Target Pair