BDBM50089863 CHEMBL3577701

SMILES: COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1

InChI Key: InChIKey=KRLQJSZEXYIYPQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50089863   

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))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of tankyrase 2 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of hexa-histidine tagged recombinant tankyrase 1 biotinylated catalytic domain (amino acids 1106 to 1325) (unknown origin) expressed in Es...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089863 (CHEMBL3577701) Show SMILES COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1 Show InChI InChI=1S/C25H26N4O6/c1-35-16-6-7-17-19(14-16)15(12-21(17)30)13-23(32)26-9-10-27-24(33)18-4-2-3-5-20(18)29-11-8-22(31)28-25(29)34/h2-7,14-15H,8-13H2,1H3,(H,26,32)(H,27,33)(H,28,31,34)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity u...				J Med Chem 58: 5143-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00432 BindingDB Entry DOI: 10.7270/Q2R2134J
					More data for this Ligand-Target Pair