BDBM50444545 CHEMBL3098940

SMILES: Cc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1

InChI Key: InChIKey=VKQCBCMAFAIWOE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50444545   

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-1 (Homo sapiens (Human))	BDBM50444545 (CHEMBL3098940) Show SMILES Cc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	35	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))	BDBM50444545 (CHEMBL3098940) Show SMILES Cc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	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	685	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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2) (Homo sapiens (Human))	BDBM50444545 (CHEMBL3098940) Show SMILES Cc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	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-2 (Homo sapiens (Human))	BDBM50444545 (CHEMBL3098940) Show SMILES Cc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.70	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				3D Structure (crystal)