BDBM50511568 CHEMBL4470218

SMILES: COc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1

InChI Key: InChIKey=HSKIFVPMPRQUPP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50511568   

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))	BDBM50511568 (CHEMBL4470218) Show SMILES COc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C22H26FN5O3/c1-26-8-4-5-14-18(26)24-21(25-19(14)29)28-9-6-22(7-10-28)17-15(23)11-13(31-3)12-16(17)27(2)20(22)30/h11-12H,4-10H2,1-3H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50511568 (CHEMBL4470218) Show SMILES COc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C22H26FN5O3/c1-26-8-4-5-14-18(26)24-21(25-19(14)29)28-9-6-22(7-10-28)17-15(23)11-13(31-3)12-16(17)27(2)20(22)30/h11-12H,4-10H2,1-3H3,(H,24,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS2 ARC5-SAM-PARP domain (613 to 1166 residues) expressed i...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50511568 (CHEMBL4470218) Show SMILES COc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C22H26FN5O3/c1-26-8-4-5-14-18(26)24-21(25-19(14)29)28-9-6-22(7-10-28)17-15(23)11-13(31-3)12-16(17)27(2)20(22)30/h11-12H,4-10H2,1-3H3,(H,24,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS SAM-PARP domain (1024 to 1327 residues) expressed in Esc...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM50511568 (CHEMBL4470218) Show SMILES COc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C22H26FN5O3/c1-26-8-4-5-14-18(26)24-21(25-19(14)29)28-9-6-22(7-10-28)17-15(23)11-13(31-3)12-16(17)27(2)20(22)30/h11-12H,4-10H2,1-3H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045
					More data for this Ligand-Target Pair