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)	Ligand	Target/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	pH	Temp °C
Protein lysine methyltransferase SUV4-20H2 (SUV4-20H2) (Homo sapiens (Human))	BDBM223981 (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	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	8.0	25
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 (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	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	8.0	25
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 Structure (crystal)