BDBM50242630 CHEMBL4089522

SMILES: NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1

InChI Key: InChIKey=UOHKZMQXEJGUES-HJWRWDBZSA-N

Data: 10 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 10 hits for monomerid = 50242630   

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))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	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 PARP14 catalytic domain (unknown origin) expressed in Escherichia coli BL21(DE3) by fluorescence ba...				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))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...				Bioorg Med Chem Lett 27: 2907-2911 (2017) Article DOI: 10.1016/j.bmcl.2017.04.089 BindingDB Entry DOI: 10.7270/Q24X5B5F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 12 (Homo sapiens (Human))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of His6-tagged PARP12 (unknown origin) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay				Bioorg Med Chem Lett 27: 2907-2911 (2017) Article DOI: 10.1016/j.bmcl.2017.04.089 BindingDB Entry DOI: 10.7270/Q24X5B5F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 15 (Homo sapiens (Human))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of His6-tagged PARP15 (unknown origin) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay				Bioorg Med Chem Lett 27: 2907-2911 (2017) Article DOI: 10.1016/j.bmcl.2017.04.089 BindingDB Entry DOI: 10.7270/Q24X5B5F
					More data for this Ligand-Target Pair
Mono [ADP-ribose] polymerase PARP16 (Homo sapiens (Human))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of His6-tagged PARP16 (unknown origin) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay				Bioorg Med Chem Lett 27: 2907-2911 (2017) Article DOI: 10.1016/j.bmcl.2017.04.089 BindingDB Entry DOI: 10.7270/Q24X5B5F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat...				Bioorg Med Chem Lett 27: 2907-2911 (2017) Article DOI: 10.1016/j.bmcl.2017.04.089 BindingDB Entry DOI: 10.7270/Q24X5B5F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 14 (Homo sapiens (Human))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H](+)-NAN binding to haloperidol-sensitive sigma binding site in whole guinea pig brain				Bioorg Med Chem Lett 27: 2907-2911 (2017) Article DOI: 10.1016/j.bmcl.2017.04.089 BindingDB Entry DOI: 10.7270/Q24X5B5F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...				Bioorg Med Chem Lett 27: 2907-2911 (2017) Article DOI: 10.1016/j.bmcl.2017.04.089 BindingDB Entry DOI: 10.7270/Q24X5B5F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP5a catalytic domain (1091 to 1325 residues) expressed in Escherichia coli BL21(DE3) preincubated for ...				Bioorg Med Chem Lett 27: 2907-2911 (2017) Article DOI: 10.1016/j.bmcl.2017.04.089 BindingDB Entry DOI: 10.7270/Q24X5B5F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 14 (Homo sapiens (Human))	BDBM50242630 (CHEMBL4089522) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(=O)N2CCN(CC2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C21H21FN4O3/c22-16-4-6-18(7-5-16)25-10-12-26(13-11-25)20(28)9-8-19(27)24-17-3-1-2-15(14-17)21(23)29/h1-9,14H,10-13H2,(H2,23,29)(H,24,27)/b9-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
McDaniel College Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PARP14 catalytic/WWE domain (1459 to 1801 residues) expressed in Escherichia coli BL21(DE3) preincubated ...				Bioorg Med Chem Lett 27: 2907-2911 (2017) Article DOI: 10.1016/j.bmcl.2017.04.089 BindingDB Entry DOI: 10.7270/Q24X5B5F
					More data for this Ligand-Target Pair