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BDBM223982 (6,7-Dichloro-4-(cyclopentylamino)phthalazin-1-yl)(4-hydroxypiperidin-1-yl)methanone::A-197 (4)

SMILES: OC1CCN(CC1)C(=O)c1nnc(NC2CCCC2)c2cc(Cl)c(Cl)cc12

InChI Key: InChIKey=NGGSLWXNDXYNJL-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 = 223982   
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))
BDBM223982
PNG
((6,7-Dichloro-4-(cyclopentylamino)phthalazin-1-yl)...)
Show SMILES OC1CCN(CC1)C(=O)c1nnc(NC2CCCC2)c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C19H22Cl2N4O2/c20-15-9-13-14(10-16(15)21)18(22-11-3-1-2-4-11)24-23-17(13)19(27)25-7-5-12(26)6-8-25/h9-12,26H,1-8H2,(H,22,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair
Protein lysine methyltransferase SUV4-20H1 (SUV4-20H1)


(Homo sapiens (Human))
BDBM223982
PNG
((6,7-Dichloro-4-(cyclopentylamino)phthalazin-1-yl)...)
Show SMILES OC1CCN(CC1)C(=O)c1nnc(NC2CCCC2)c2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C19H22Cl2N4O2/c20-15-9-13-14(10-16(15)21)18(22-11-3-1-2-4-11)24-23-17(13)19(27)25-7-5-12(26)6-8-25/h9-12,26H,1-8H2,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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)

More data for this
Ligand-Target Pair