BDBM50089865 CHEMBL3577624

SMILES: O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O

InChI Key: InChIKey=VEVDSJNRSJPWSK-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 = 50089865   

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-2 (Homo sapiens (Human))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.13E+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))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	257	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))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	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 10 (Homo sapiens (Human))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+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))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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 10 (Homo sapiens (Human))	BDBM50089865 (CHEMBL3577624) Show SMILES O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O Show InChI InChI=1S/C20H18N6O4/c27-16-9-12-26(20(29)23-16)15-7-2-1-5-13(15)19(28)22-11-8-17-24-18(25-30-17)14-6-3-4-10-21-14/h1-7,10H,8-9,11-12H2,(H,22,28)(H,23,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	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