BDBM50444035 CHEMBL3092541

SMILES: O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc12

InChI Key: InChIKey=LFKGAPOWIHFKHP-KRWDZBQOSA-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 = 50444035   

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))	BDBM50444035 (CHEMBL3092541) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50444035 (CHEMBL3092541) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C20H19N3O2/c24-19(22-17-10-9-13-5-1-2-6-14(13)17)12-11-18-21-16-8-4-3-7-15(16)20(25)23-18/h1-8,17H,9-12H2,(H,22,24)(H,21,23,25)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	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