BDBM50089862 CHEMBL3577700

SMILES: COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1

InChI Key: InChIKey=YFRJWFALOKTWJY-PKDNWHCCSA-N

Data: 7 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 7 hits for monomerid = 50089862   

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))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	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))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	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))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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-1 (Homo sapiens (Human))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	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))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	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 10 (Homo sapiens (Human))	BDBM50089862 (CHEMBL3577700) Show SMILES COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r| Show InChI InChI=1S/C26H27N5O7/c1-38-15-6-7-16-18(12-15)14(10-21(16)32)11-23(34)29-19(24(27)35)13-28-25(36)17-4-2-3-5-20(17)31-9-8-22(33)30-26(31)37/h2-7,12,14,19H,8-11,13H2,1H3,(H2,27,35)(H,28,36)(H,29,34)(H,30,33,37)/t14?,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
£Philochem AG Curated by ChEMBL					Assay Description Inhibition of full length PARP10 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ADP-ribosyl transferase activity ...				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