BDBM50444030 CHEMBL3092520

SMILES: C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=RMEVHSQZUSDSOV-VIFPVBQESA-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 = 50444030   

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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3) (Homo sapiens (Human))	BDBM50444030 (CHEMBL3092520) Show SMILES C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| Show InChI InChI=1S/C14H17N3O3/c1-9(8-18)15-13(19)7-6-12-16-11-5-3-2-4-10(11)14(20)17-12/h2-5,9,18H,6-8H2,1H3,(H,15,19)(H,16,17,20)/t9-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of full length ATRD3 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50444030 (CHEMBL3092520) Show SMILES C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 |r| Show InChI InChI=1S/C14H17N3O3/c1-9(8-18)15-13(19)7-6-12-16-11-5-3-2-4-10(11)14(20)17-12/h2-5,9,18H,6-8H2,1H3,(H,15,19)(H,16,17,20)/t9-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of catalytic domain of ATRD1 (unknown origin)				J Med Chem 56: 9556-68 (2014) Article DOI: 10.1021/jm401394u BindingDB Entry DOI: 10.7270/Q2Q52R32
					More data for this Ligand-Target Pair