BDBM50272966 CHEMBL4129789

SMILES: NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(CC2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=GKQVMMKXPPAKMY-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50272966   

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 14 (Homo sapiens (Human))	BDBM50272966 (CHEMBL4129789) Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of full length recombinant His6-tagged human PARP14 WWA/catalytic domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins ...				Bioorg Med Chem Lett 28: 2050-2054 (2018) Article DOI: 10.1016/j.bmcl.2018.04.056 BindingDB Entry DOI: 10.7270/Q2RR21R2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 14 (Homo sapiens (Human))	BDBM50272966 (CHEMBL4129789) Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of full length recombinant His6-tagged human PARP14 WWA/catalytic domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins ...				Bioorg Med Chem Lett 28: 2050-2054 (2018) Article DOI: 10.1016/j.bmcl.2018.04.056 BindingDB Entry DOI: 10.7270/Q2RR21R2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50272966 (CHEMBL4129789) Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of full length recombinant His6-tagged human PARP10 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinyla...				Bioorg Med Chem Lett 28: 2050-2054 (2018) Article DOI: 10.1016/j.bmcl.2018.04.056 BindingDB Entry DOI: 10.7270/Q2RR21R2
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50272966 (CHEMBL4129789) Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of full length recombinant His6-tagged human PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...				Bioorg Med Chem Lett 28: 2050-2054 (2018) Article DOI: 10.1016/j.bmcl.2018.04.056 BindingDB Entry DOI: 10.7270/Q2RR21R2
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50272966 (CHEMBL4129789) Show SMILES NC(=O)c1ccc(Oc2cccc(c2)C(=O)N2CCC(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H23FN2O3/c26-21-8-4-17(5-9-21)18-12-14-28(15-13-18)25(30)20-2-1-3-23(16-20)31-22-10-6-19(7-11-22)24(27)29/h1-11,16,18H,12-15H2,(H2,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of full length recombinant His6-tagged human PARP10 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinyla...				Bioorg Med Chem Lett 28: 2050-2054 (2018) Article DOI: 10.1016/j.bmcl.2018.04.056 BindingDB Entry DOI: 10.7270/Q2RR21R2
					More data for this Ligand-Target Pair