null

SMILES: CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23

InChI Key: InChIKey=OGMWSRSCJFPYFR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 207588   

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))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	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))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PARP-1 catalytic domain (662 to 1011 residues) expressed in Escherichia coli BL21(DE3) cells pre-incubated for 30 mins before add...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01346 BindingDB Entry DOI: 10.7270/Q2474FGF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+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
Isoform 2 of Protein mono-ADP-ribosyltransferase PARP3 (Long) (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+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 US9260440 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KBD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30E+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
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+7	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))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+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))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30E+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 US10501467 (2019) BindingDB Entry DOI: 10.7270/Q2Z89FS5
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	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 US10501467 (2019) BindingDB Entry DOI: 10.7270/Q2Z89FS5
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+7	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 US10501467 (2019) BindingDB Entry DOI: 10.7270/Q2Z89FS5
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+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 US10501467 (2019) BindingDB Entry DOI: 10.7270/Q2Z89FS5
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PARP-1 in human HeLa cells incubated for 18 hrs in presence of H2O2				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01346 BindingDB Entry DOI: 10.7270/Q2474FGF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PARP-2 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01346 BindingDB Entry DOI: 10.7270/Q2474FGF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207588 (US10501467, Example 33 | US9260440, 33 | US9617273...) Show SMILES CCN(CC)CCn1c2CC(C)(C)Cc3n[nH]c(=O)c4cccc1c4c23 Show InChI InChI=1S/C21H28N4O/c1-5-24(6-2)10-11-25-16-9-7-8-14-18(16)19-15(22-23-20(14)26)12-21(3,4)13-17(19)25/h7-9H,5-6,10-13H2,1-4H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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