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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transcription intermediary factor 1-alpha' and Ligand = 'BDBM50150759'   
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
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150759
PNG
(CHEMBL3774638)
Show SMILES CCCOc1cc(OCCCCCCNC(=O)OC(C)(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C33H46N6O8S/c1-8-14-44-23-16-24(45-15-12-10-9-11-13-34-31(40)47-33(2,3)4)18-25(17-23)46-29-20-28-27(38(6)32(41)39(28)7)19-26(29)36-48(42,43)30-21-37(5)22-35-30/h16-22,36H,8-15H2,1-7H3,(H,34,40)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1440-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00405
BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150759
PNG
(CHEMBL3774638)
Show SMILES CCCOc1cc(OCCCCCCNC(=O)OC(C)(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C33H46N6O8S/c1-8-14-44-23-16-24(45-15-12-10-9-11-13-34-31(40)47-33(2,3)4)18-25(17-23)46-29-20-28-27(38(6)32(41)39(28)7)19-26(29)36-48(42,43)30-21-37(5)22-35-30/h16-22,36H,8-15H2,1-7H3,(H,34,40)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.50E+3n/an/an/an/a



The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1440-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00405
BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair