BDBM50094926 CHEMBL3589282

SMILES: COc1ccc(cc1)-c1cc2N(C)CCCc2c(=O)[nH]1

InChI Key: InChIKey=ZDXHDNKNNXPLHR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50094926   

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
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50094926 (CHEMBL3589282) Show SMILES COc1ccc(cc1)-c1cc2N(C)CCCc2c(=O)[nH]1 Show InChI InChI=1S/C16H18N2O2/c1-18-9-3-4-13-15(18)10-14(17-16(13)19)11-5-7-12(20-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human TNKS2 catalytic activity				Bioorg Med Chem 23: 3013-32 (2015) Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50094926 (CHEMBL3589282) Show SMILES COc1ccc(cc1)-c1cc2N(C)CCCc2c(=O)[nH]1 Show InChI InChI=1S/C16H18N2O2/c1-18-9-3-4-13-15(18)10-14(17-16(13)19)11-5-7-12(20-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem 23: 3013-32 (2015) Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50094926 (CHEMBL3589282) Show SMILES COc1ccc(cc1)-c1cc2N(C)CCCc2c(=O)[nH]1 Show InChI InChI=1S/C16H18N2O2/c1-18-9-3-4-13-15(18)10-14(17-16(13)19)11-5-7-12(20-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human TNKS1 catalytic activity				Bioorg Med Chem 23: 3013-32 (2015) Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072
					More data for this Ligand-Target Pair