BDBM50505327 CHEMBL4586580

SMILES: CC(C)(C)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1

InChI Key: InChIKey=YWNDUCFQXOXSHW-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 50505327   

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
Tankyrase 1/2 (Homo sapiens (Human))	BDBM50505327 (CHEMBL4586580) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C18H17FN2O/c1-18(2,3)12-6-4-11(5-7-12)16-20-15-9-8-13(19)10-14(15)17(22)21-16/h4-10H,1-3H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of tankyrase 1/2 in human DLD1 cells assessed as increase in axin2 accumulation incubated for 24 hrs by luminex based bead assay				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50505327 (CHEMBL4586580) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C18H17FN2O/c1-18(2,3)12-6-4-11(5-7-12)16-20-15-9-8-13(19)10-14(15)17(22)21-16/h4-10H,1-3H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length Myc/His-tagged Parp-1 expressed in baculovirus infected Sf21 insect cells assessed as reduction in auto-P...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50505327 (CHEMBL4586580) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C18H17FN2O/c1-18(2,3)12-6-4-11(5-7-12)16-20-15-9-8-13(19)10-14(15)17(22)21-16/h4-10H,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected sf9 cells assessed ...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505327 (CHEMBL4586580) Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C18H17FN2O/c1-18(2,3)12-6-4-11(5-7-12)16-20-15-9-8-13(19)10-14(15)17(22)21-16/h4-10H,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656
					More data for this Ligand-Target Pair