Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 7615   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206083 (US9255106, S3-(-)) Show SMILES C[C@H]1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206076 (US9255106, S18) Show SMILES CC1CN(Cc2nnc(CF)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.15	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description Based on the preliminary PARP1 inhibition evaluation of compounds at molecular level by ELISA, compounds were further evaluated for their cellular in...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206082 (US9255106, S3-(+)) Show SMILES C[C@@H]1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description Based on the preliminary PARP1 inhibition evaluation of compounds at molecular level by ELISA, compounds were further evaluated for their cellular in...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206076 (US9255106, S18) Show SMILES CC1CN(Cc2nnc(CF)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206078 (US9255106, S20) Show SMILES CC1(C)CN(Cc2nnc(CF)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C24H22F2N6O2/c1-24(2)13-31(12-21-29-28-20(11-25)32(21)24)23(34)17-9-14(7-8-18(17)26)10-19-15-5-3-4-6-16(15)22(33)30-27-19/h3-9H,10-13H2,1-2H3,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206075 (US9255106, S17) Show SMILES CC1CN(Cc2nnc(C(F)F)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206074 (US9255106, S16) Show SMILES CCOC(=O)CC1N(CC(C)n2c1nnc2C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206073 (US9255106, S15) Show SMILES CC1CN(C(CC(F)(F)F)c2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206070 (US9255106, S12) Show SMILES CCC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206069 (US9255106, S11) Show SMILES CN(C)C1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206068 (US9255106, S10) Show SMILES COC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206063 (US9255106, S5) Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206062 (US9255106, S4) Show SMILES CC1N(CCn2c1nnc2C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206075 (US9255106, S17) Show SMILES CC1CN(Cc2nnc(C(F)F)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.8	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description Based on the preliminary PARP1 inhibition evaluation of compounds at molecular level by ELISA, compounds were further evaluated for their cellular in...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206062 (US9255106, S4) Show SMILES CC1N(CCn2c1nnc2C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description Based on the preliminary PARP1 inhibition evaluation of compounds at molecular level by ELISA, compounds were further evaluated for their cellular in...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206077 (US9255106, S19) Show SMILES CC1CN(C(C)c2nnc(CF)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206080 (US9255106, S22) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2cc(C)c(=O)[nH]n2)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206065 (US9255106, S7) Show SMILES CC1CN(C(CC=C)c2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206079 (US9255106, S21) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c(C)c2C)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206067 (US9255106, S9) Show SMILES CC1N(CC(C)(C)n2c1nnc2C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206072 (US9255106, S14) Show SMILES COC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206071 (US9255106, S13) Show SMILES CC1N(CC(N(C)C)n2c1nnc2C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206064 (US9255106, S6) Show SMILES CC1(C)CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C24H20F4N6O2/c1-23(2)12-33(11-19-30-32-22(34(19)23)24(26,27)28)21(36)16-9-13(7-8-17(16)25)10-18-14-5-3-4-6-15(14)20(35)31-29-18/h3-9H,10-12H2,1-2H3,(H,31,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206060 (US9255106, S2) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1CC=C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	66.9	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206068 (US9255106, S10) Show SMILES COC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	84.0	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description Based on the preliminary PARP1 inhibition evaluation of compounds at molecular level by ELISA, compounds were further evaluated for their cellular in...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	86.3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description Based on the preliminary PARP1 inhibition evaluation of compounds at molecular level by ELISA, compounds were further evaluated for their cellular in...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206063 (US9255106, S5) Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	98.7	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description Based on the preliminary PARP1 inhibition evaluation of compounds at molecular level by ELISA, compounds were further evaluated for their cellular in...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206059 (US9255106, S1) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM206066 (US9255106, S8) Show SMILES CC1CN(C(Cc2ccccc2)c2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM206061 (US9255106, S3) Show SMILES CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM27566 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent					Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...				US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N
					More data for this Ligand-Target Pair				3D Structure (crystal)