BDBM50444034 CHEMBL3092544

SMILES: CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1

InChI Key: InChIKey=YAXDRRKYLDEMKO-INIZCTEOSA-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 = 50444034   

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))	BDBM50444034 (CHEMBL3092544) Show SMILES CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20E+3	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				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50444034 (CHEMBL3092544) Show SMILES CC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 |r| Show InChI InChI=1S/C20H21N3O2/c1-2-16(14-8-4-3-5-9-14)22-19(24)13-12-18-21-17-11-7-6-10-15(17)20(25)23-18/h3-11,16H,2,12-13H2,1H3,(H,22,24)(H,21,23,25)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	140	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