BindingDB logo
myBDB logout

BDBM152260 US8993552, 1F4 Compound 44

SMILES: Cc1nn(nc1C(N)=O)-c1ccccc1

InChI Key: InChIKey=IHPOVUXVIZRYAC-UHFFFAOYSA-N

Data: 1 IC50  5 Kd

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 152260   
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
Menin


(Homo sapiens (Human))
BDBM152260
PNG
(US8993552, 1F4 Compound 44)
Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 3.80E+5n/an/an/an/an/an/a



University of Michigan

US Patent


Assay Description
Assays effective in monitoring the inhibition of the MLL binding to menin were developed during experiments performed during the development of embod...


US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM152260
PNG
(US8993552, 1F4 Compound 44)
Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.08E+6n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 3% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM152260
PNG
(US8993552, 1F4 Compound 44)
Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 2.50E+5n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of biotinylated small molecule ligand from His/FLAG-tagged PCAF bromodomain (719 to 832 residues) (unknown origin) after 15 mins by Alph...


J Med Chem 60: 695-709 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01566
BindingDB Entry DOI: 10.7270/Q2W09863
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM152260
PNG
(US8993552, 1F4 Compound 44)
Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 6.60E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 1% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM152260
PNG
(US8993552, 1F4 Compound 44)
Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 3.60E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using 0.5% DMSO by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM152260
PNG
(US8993552, 1F4 Compound 44)
Show SMILES Cc1nn(nc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 2.50E+5n/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to human His6-tagged PCAF expressed in Escherichia coli BL21(DE3)-R3 using methanol by SPR assay


ACS Med Chem Lett 7: 1213-1218 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00154
BindingDB Entry DOI: 10.7270/Q2VM4F7M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)