BDBM50444541 CHEMBL3098935

SMILES: Cc1cccc2c1nc([nH]c2=O)-c1ccc(CNC(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=ATLOZOFUVNDOGJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50444541   

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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM50444541 (CHEMBL3098935) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O3/c1-16-6-5-9-20-21(16)26-22(27-23(20)28)19-12-10-17(11-13-19)14-25-24(29)30-15-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human recombinant IMPDH2 by spectrophotometry				ACS Med Chem Lett 4: 1173-7 (2013) Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50444541 (CHEMBL3098935) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O3/c1-16-6-5-9-20-21(16)26-22(27-23(20)28)19-12-10-17(11-13-19)14-25-24(29)30-15-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human tankyrase1 after 30 mins by spectrophotometry				ACS Med Chem Lett 4: 1173-7 (2013) Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50444541 (CHEMBL3098935) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O3/c1-16-6-5-9-20-21(16)26-22(27-23(20)28)19-12-10-17(11-13-19)14-25-24(29)30-15-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,27,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry				ACS Med Chem Lett 4: 1173-7 (2013) Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50444541 (CHEMBL3098935) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O3/c1-16-6-5-9-20-21(16)26-22(27-23(20)28)19-12-10-17(11-13-19)14-25-24(29)30-15-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay				Eur J Med Chem 118: 316-27 (2016) BindingDB Entry DOI: 10.7270/Q22F7QC0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50444541 (CHEMBL3098935) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O3/c1-16-6-5-9-20-21(16)26-22(27-23(20)28)19-12-10-17(11-13-19)14-25-24(29)30-15-18-7-3-2-4-8-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human tankyrase2 after 2 hrs by spectrophotometry				ACS Med Chem Lett 4: 1173-7 (2013) Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC
					More data for this Ligand-Target Pair