BDBM50511562 CHEMBL4554146

SMILES: OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F

InChI Key: InChIKey=PQGLPXUXVBAMGX-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50511562   

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))	BDBM50511562 (CHEMBL4554146) Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C22H24F2N4O3/c23-13-11-15(24)18-17(12-13)28(9-10-29)20(31)22(18)5-7-27(8-6-22)21-25-16-4-2-1-3-14(16)19(30)26-21/h11-12,29H,1-10H2,(H,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN 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 62: 3407-3427 (2019) Article DOI: 10.1021/acs.jmedchem.8b01888
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50511562 (CHEMBL4554146) Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C22H24F2N4O3/c23-13-11-15(24)18-17(12-13)28(9-10-29)20(31)22(18)5-7-27(8-6-22)21-25-16-4-2-1-3-14(16)19(30)26-21/h11-12,29H,1-10H2,(H,25,26,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP1 expressed in Escherichia coli assessed as reduction in auto-PARylation using histone as substrate measured afte...				J Med Chem 62: 3407-3427 (2019) Article DOI: 10.1021/acs.jmedchem.8b01888
					More data for this Ligand-Target Pair
Tankyrase 1/2 (Homo sapiens (Human))	BDBM50511562 (CHEMBL4554146) Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C22H24F2N4O3/c23-13-11-15(24)18-17(12-13)28(9-10-29)20(31)22(18)5-7-27(8-6-22)21-25-16-4-2-1-3-14(16)19(30)26-21/h11-12,29H,1-10H2,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN 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 62: 3407-3427 (2019) Article DOI: 10.1021/acs.jmedchem.8b01888
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50511562 (CHEMBL4554146) Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C22H24F2N4O3/c23-13-11-15(24)18-17(12-13)28(9-10-29)20(31)22(18)5-7-27(8-6-22)21-25-16-4-2-1-3-14(16)19(30)26-21/h11-12,29H,1-10H2,(H,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50511562 (CHEMBL4554146) Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C22H24F2N4O3/c23-13-11-15(24)18-17(12-13)28(9-10-29)20(31)22(18)5-7-27(8-6-22)21-25-16-4-2-1-3-14(16)19(30)26-21/h11-12,29H,1-10H2,(H,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	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
Tankyrase 1/2 (Homo sapiens (Human))	BDBM50511562 (CHEMBL4554146) Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C22H24F2N4O3/c23-13-11-15(24)18-17(12-13)28(9-10-29)20(31)22(18)5-7-27(8-6-22)21-25-16-4-2-1-3-14(16)19(30)26-21/h11-12,29H,1-10H2,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	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
Tankyrase 1/2 (Homo sapiens (Human))	BDBM50511562 (CHEMBL4554146) Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C22H24F2N4O3/c23-13-11-15(24)18-17(12-13)28(9-10-29)20(31)22(18)5-7-27(8-6-22)21-25-16-4-2-1-3-14(16)19(30)26-21/h11-12,29H,1-10H2,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	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
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50511562 (CHEMBL4554146) Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C22H24F2N4O3/c23-13-11-15(24)18-17(12-13)28(9-10-29)20(31)22(18)5-7-27(8-6-22)21-25-16-4-2-1-3-14(16)19(30)26-21/h11-12,29H,1-10H2,(H,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS2 SAM-PARP domain (613 to 1166 residues) expressed in Esc...				J Med Chem 62: 3407-3427 (2019) Article DOI: 10.1021/acs.jmedchem.8b01888
					More data for this Ligand-Target Pair