null

SMILES: CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O

InChI Key: InChIKey=UCDKHNXJMSHBER-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 207569   

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))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	46	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 1 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	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 2 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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 2 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20E+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
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	700	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 1 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	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 2 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	700	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 1 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20E+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 US10501467 (2019) BindingDB Entry DOI: 10.7270/Q2Z89FS5
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	700	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 1 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20E+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 US10501467 (2019) BindingDB Entry DOI: 10.7270/Q2Z89FS5
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	700	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 1 (Homo sapiens (Human))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	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))	BDBM207569 (US10501467, Example 19 | US9260440, 14 | US9260440...) Show SMILES CC1(C)CCc2[nH]c3cc(F)cc4c3c2c1n[nH]c4=O Show InChI InChI=1S/C15H14FN3O/c1-15(2)4-3-9-12-11-8(14(20)19-18-13(12)15)5-7(16)6-10(11)17-9/h5-6,17H,3-4H2,1-2H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20E+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