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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM174845'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM174845
PNG
(US9115061, XII)
Show SMILES Cc1ccc(CC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)Cc4ccc(C)cc4)c(O)c(O)cc3c2O)cc1
Show InChI InChI=1S/C40H34O8/c1-19-5-9-23(10-6-19)15-29(41)35-25-13-21(3)33(37(45)27(25)17-31(43)39(35)47)34-22(4)14-26-28(38(34)46)18-32(44)40(48)36(26)30(42)16-24-11-7-20(2)8-12-24/h5-14,17-18,43-48H,15-16H2,1-4H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 320n/an/an/an/an/a25



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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM174845
PNG
(US9115061, XII)
Show SMILES Cc1ccc(CC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)Cc4ccc(C)cc4)c(O)c(O)cc3c2O)cc1
Show InChI InChI=1S/C40H34O8/c1-19-5-9-23(10-6-19)15-29(41)35-25-13-21(3)33(37(45)27(25)17-31(43)39(35)47)34-22(4)14-26-28(38(34)46)18-32(44)40(48)36(26)30(42)16-24-11-7-20(2)8-12-24/h5-14,17-18,43-48H,15-16H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 40n/an/an/a7.4n/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