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BDBM29656 4-[(Pyridin-3-ylmethyl)-amino]-2,3-dihydro-1H-4a,9-diaza-cyclopenta[b]fluorene-10-carbonitrile::MLS000556361::SMR000147678::cid_702038

SMILES: N#Cc1c2CCCc2c(NCc2cccnc2)n2c1nc1ccccc21

InChI Key: InChIKey=GYVDMWVPDNIPMH-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 29656   
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))
BDBM29656
PNG
(4-[(Pyridin-3-ylmethyl)-amino]-2,3-dihydro-1H-4a,9...)
Show SMILES N#Cc1c2CCCc2c(NCc2cccnc2)n2c1nc1ccccc21
Show InChI InChI=1S/C21H17N5/c22-11-17-15-6-3-7-16(15)20(24-13-14-5-4-10-23-12-14)26-19-9-2-1-8-18(19)25-21(17)26/h1-2,4-5,8-10,12,24H,3,6-7,13H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.35E+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
Runt-related transcription factor 1


(Homo sapiens (Human))
BDBM29656
PNG
(4-[(Pyridin-3-ylmethyl)-amino]-2,3-dihydro-1H-4a,9...)
Show SMILES N#Cc1c2CCCc2c(NCc2cccnc2)n2c1nc1ccccc21
Show InChI InChI=1S/C21H17N5/c22-11-17-15-6-3-7-16(15)20(24-13-14-5-4-10-23-12-14)26-19-9-2-1-8-18(19)25-21(17)26/h1-2,4-5,8-10,12,24H,3,6-7,13H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.35E+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