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BDBM29613 2-Imino-1-(4-methyl-benzyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (furan-2-ylmethyl)-amide::2-azanylidene-N-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::MLS000075054::N-(2-furanylmethyl)-2-imino-1-[(4-methylphenyl)methyl]-5-oxo-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide::N-(2-furfuryl)-2-imino-5-keto-1-(4-methylbenzyl)dipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::N-(furan-2-ylmethyl)-2-imino-1-[(4-methylphenyl)methyl]-5-oxodipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide::SMR000013488::cid_644735

SMILES: Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1

InChI Key: InChIKey=MWQOUSHKYPZGHQ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 29613   
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
Runt-related transcription factor 1


(Homo sapiens (Human))
BDBM29613
PNG
(2-Imino-1-(4-methyl-benzyl)-10-oxo-1,10-dihydro-2H...)
Show SMILES Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
Show InChI InChI=1S/C25H21N5O3/c1-16-7-9-17(10-8-16)15-30-22(26)19(24(31)27-14-18-5-4-12-33-18)13-20-23(30)28-21-6-2-3-11-29(21)25(20)32/h2-13,26H,14-15H2,1H3,(H,27,31)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.53E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential thera...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DV1H7P
More data for this
Ligand-Target Pair
Kallikrein-5


(Homo sapiens (Human))
BDBM29613
PNG
(2-Imino-1-(4-methyl-benzyl)-10-oxo-1,10-dihydro-2H...)
Show SMILES Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
Show InChI InChI=1S/C25H21N5O3/c1-16-7-9-17(10-8-16)15-30-22(26)19(24(31)27-14-18-5-4-12-33-18)13-20-23(30)28-21-6-2-3-11-29(21)25(20)32/h2-13,26H,14-15H2,1H3,(H,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM29613
PNG
(2-Imino-1-(4-methyl-benzyl)-10-oxo-1,10-dihydro-2H...)
Show SMILES Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
Show InChI InChI=1S/C25H21N5O3/c1-16-7-9-17(10-8-16)15-30-22(26)19(24(31)27-14-18-5-4-12-33-18)13-20-23(30)28-21-6-2-3-11-29(21)25(20)32/h2-13,26H,14-15H2,1H3,(H,27,31)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.14E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Runt-related transcription factor 1


(Homo sapiens (Human))
BDBM29613
PNG
(2-Imino-1-(4-methyl-benzyl)-10-oxo-1,10-dihydro-2H...)
Show SMILES Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
Show InChI InChI=1S/C25H21N5O3/c1-16-7-9-17(10-8-16)15-30-22(26)19(24(31)27-14-18-5-4-12-33-18)13-20-23(30)28-21-6-2-3-11-29(21)25(20)32/h2-13,26H,14-15H2,1H3,(H,27,31)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.53E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair