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SMILES: CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O

InChI Key: InChIKey=MWIUPFYRAAIUMB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 207617   

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 1 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	8.0	n/a
BeiGene, Ltd. US Patent					Assay Description PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...				US Patent US9260440 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KBD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	8.0	n/a
BeiGene, Ltd. US Patent					Assay Description PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...				US Patent US9260440 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KBD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...				US Patent US9260440 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KBD
					More data for this Ligand-Target Pair
Isoform 2 of Protein mono-ADP-ribosyltransferase PARP3 (Long) (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...				US Patent US9260440 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KBD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GS...				US Patent US9260440 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KBD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...				US Patent US9617273 (2017) BindingDB Entry DOI: 10.7270/Q2CN75ZV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...				US Patent US9617273 (2017) BindingDB Entry DOI: 10.7270/Q2CN75ZV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GS...				US Patent US9617273 (2017) BindingDB Entry DOI: 10.7270/Q2CN75ZV
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM207617 (US9260440, 62 | US9617273, Example 62) Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...				US Patent US9617273 (2017) BindingDB Entry DOI: 10.7270/Q2CN75ZV
					More data for this Ligand-Target Pair