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BDBM223981 6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine::A-196 (3)

SMILES: Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl

InChI Key: InChIKey=ABGOSOMRWSYAOB-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 223981   
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
Protein lysine methyltransferase SUV4-20H2 (SUV4-20H2)


(Homo sapiens (Human))
BDBM223981
PNG
(6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthala...)
Show SMILES Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl
Show InChI InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 144n/an/an/an/a8.025



AbbVie



Assay Description
Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...


Nat Chem Biol 13: 317-324 (2017)


Article DOI: 10.1038/nchembio.2282
BindingDB Entry DOI: 10.7270/Q2X065XF
More data for this
Ligand-Target Pair
Protein lysine methyltransferase SUV4-20H1 (SUV4-20H1)


(Homo sapiens (Human))
BDBM223981
PNG
(6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthala...)
Show SMILES Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl
Show InChI InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 25n/an/an/an/a8.025



AbbVie



Assay Description
Experiments were performed in triplicate at room temperature with 1 h incubation of 10 μl reaction mixture in buffer of 20 mM Tris-HCl, pH 8.0, ...


Nat Chem Biol 13: 317-324 (2017)


Article DOI: 10.1038/nchembio.2282
BindingDB Entry DOI: 10.7270/Q2X065XF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)