Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'le gall' and Initial = 'a'   

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 1 (Homo sapiens (Human))	BDBM27542 (4-(3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H...) Show SMILES O=C(N1CCNCC1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C20H20N4O2/c25-19-17-7-2-1-6-16(17)18(22-23-19)13-14-4-3-5-15(12-14)20(26)24-10-8-21-9-11-24/h1-7,12,21H,8-11,13H2,(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189403 (CHEMBL3828191) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r| Show InChI InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length BRPF1 in human HUT78 cell nuclear/chromatin extract after 45 mins by chemoproteomic competition binding assay				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27662 (4-[(3-{[4-(2-phenoxypropanoyl)piperazin-1-yl]carbo...) Show SMILES CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C29H28N4O4/c1-20(37-23-10-3-2-4-11-23)28(35)32-14-16-33(17-15-32)29(36)22-9-7-8-21(18-22)19-26-24-12-5-6-13-25(24)27(34)31-30-26/h2-13,18,20H,14-17,19H2,1H3,(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189392 (CHEMBL3828311) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@H]1C |r| Show InChI InChI=1S/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189403 (CHEMBL3828191) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r| Show InChI InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27661 (4-({3-[(4-cyclopentanecarbonylpiperazin-1-yl)carbo...) Show SMILES O=C(C1CCCC1)N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C26H28N4O3/c31-24-22-11-4-3-10-21(22)23(27-28-24)17-18-6-5-9-20(16-18)26(33)30-14-12-29(13-15-30)25(32)19-7-1-2-8-19/h3-6,9-11,16,19H,1-2,7-8,12-15,17H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526962 (CHEMBL4448056) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2cc(ccc2n1CC1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C24H30N4O3/c1-17-13-19(16-26(2)24(17)29)23-25-21-14-20(27-7-11-31-12-8-27)3-4-22(21)28(23)15-18-5-9-30-10-6-18/h3-4,13-14,16,18H,5-12,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27680 (2-({3-[(4-cyclopentanecarbonylpiperazin-1-yl)carbo...) Show SMILES NC(=O)c1cc(F)ccc1OCc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C25H27F2N3O4/c26-18-6-8-22(20(14-18)23(28)31)34-15-16-5-7-21(27)19(13-16)25(33)30-11-9-29(10-12-30)24(32)17-3-1-2-4-17/h5-8,13-14,17H,1-4,9-12,15H2,(H2,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526964 (CHEMBL4438171) Show SMILES COCC(COC)n1c(nc2cc(ccc12)N1CCOCC1)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27681 (5-fluoro-2-[(4-fluoro-3-{[4-(2-phenoxypropanoyl)pi...) Show SMILES CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cc(COc2ccc(F)cc2C(N)=O)ccc1F Show InChI InChI=1S/C28H27F2N3O5/c1-18(38-21-5-3-2-4-6-21)27(35)32-11-13-33(14-12-32)28(36)22-15-19(7-9-24(22)30)17-37-25-10-8-20(29)16-23(25)26(31)34/h2-10,15-16,18H,11-14,17H2,1H3,(H2,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189402 (CHEMBL3828008) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCC[C@@H]1C |r| Show InChI InChI=1S/C22H26N4O3/c1-14-8-7-11-26(14)17-13-19-18(24(2)22(28)25(19)3)12-16(17)23-21(27)15-9-5-6-10-20(15)29-4/h5-6,9-10,12-14H,7-8,11H2,1-4H3,(H,23,27)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27663 (2-{[3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benza...) Show SMILES NC(=O)c1ccccc1OCc1cccc(c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C19H21N3O3/c20-18(23)16-6-1-2-7-17(16)25-13-14-4-3-5-15(12-14)19(24)22-10-8-21-9-11-22/h1-7,12,21H,8-11,13H2,(H2,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27674 (2-[2-(4-fluoro-3-{[4-(2-phenoxypropanoyl)piperazin...) Show SMILES CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cc(CCOc2ccccc2C(N)=O)ccc1F Show InChI InChI=1S/C29H30FN3O5/c1-20(38-22-7-3-2-4-8-22)28(35)32-14-16-33(17-15-32)29(36)24-19-21(11-12-25(24)30)13-18-37-26-10-6-5-9-23(26)27(31)34/h2-12,19-20H,13-18H2,1H3,(H2,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189403 (CHEMBL3828191) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@H]1C |r| Show InChI InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625 to 735 residues) (unknown origin) expressed in HEK293 cells co-transfected with h...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50302293 (4-(1-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1H-imid...) Show SMILES COc1cc(cc(OC)c1O)-c1cn(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C22H27N7O5/c1-31-17-11-15(12-18(32-2)19(17)30)16-13-29(14-23-16)22-25-20(27-3-7-33-8-4-27)24-21(26-22)28-5-9-34-10-6-28/h11-14,30H,3-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of mTOR kinase in human HeLa cells by ELISA				Bioorg Med Chem Lett 19: 5898-901 (2009) Article DOI: 10.1016/j.bmcl.2009.08.069 BindingDB Entry DOI: 10.7270/Q2NG4QPH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50302286 (4-(5-(2,6-dimorpholinopyrimidin-4-yl)furan-2-yl)-2...) Show SMILES COc1cc(cc(OC)c1O)-c1ccc(o1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C24H28N4O6/c1-30-20-13-16(14-21(31-2)23(20)29)18-3-4-19(34-18)17-15-22(27-5-9-32-10-6-27)26-24(25-17)28-7-11-33-12-8-28/h3-4,13-15,29H,5-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of mTOR kinase in human HeLa cells by ELISA				Bioorg Med Chem Lett 19: 5898-901 (2009) Article DOI: 10.1016/j.bmcl.2009.08.069 BindingDB Entry DOI: 10.7270/Q2NG4QPH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27666 (2-({3-[(4-cyclopentanecarbonylpiperazin-1-yl)carbo...) Show SMILES NC(=O)c1ccccc1OCc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C25H28FN3O4/c26-21-10-9-17(16-33-22-8-4-3-7-19(22)23(27)30)15-20(21)25(32)29-13-11-28(12-14-29)24(31)18-5-1-2-6-18/h3-4,7-10,15,18H,1-2,5-6,11-14,16H2,(H2,27,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27675 (5-fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)ph...) Show SMILES NC(=O)c1cc(F)ccc1OCc1ccc(F)c(c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C19H19F2N3O3/c20-13-2-4-17(15(10-13)18(22)25)27-11-12-1-3-16(21)14(9-12)19(26)24-7-5-23-6-8-24/h1-4,9-10,23H,5-8,11H2,(H2,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526959 (CHEMBL4522991) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1CC1CCCOC1 Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526959 (CHEMBL4522991) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1CC1CCCOC1 Show InChI InChI=1S/C20H23N3O2/c1-14-10-16(12-22(2)20(14)24)19-21-17-7-3-4-8-18(17)23(19)11-15-6-5-9-25-13-15/h3-4,7-8,10,12,15H,5-6,9,11,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189409 (CHEMBL3828684) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C Show InChI InChI=1S/C20H23N3O4/c1-12(2)27-18-11-16-15(22(3)20(25)23(16)4)10-14(18)21-19(24)13-8-6-7-9-17(13)26-5/h6-12H,1-5H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189353 (CHEMBL3827767) Show SMILES COc1ncccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C Show InChI InChI=1S/C19H22N4O4/c1-11(2)27-16-10-15-14(22(3)19(25)23(15)4)9-13(16)21-17(24)12-7-6-8-20-18(12)26-5/h6-11H,1-5H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27667 (2-[(3-{[4-(2-phenoxypropanoyl)piperazin-1-yl]carbo...) Show SMILES CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc(COc2ccccc2C(N)=O)c1 Show InChI InChI=1S/C28H29N3O5/c1-20(36-23-10-3-2-4-11-23)27(33)30-14-16-31(17-15-30)28(34)22-9-7-8-21(18-22)19-35-25-13-6-5-12-24(25)26(29)32/h2-13,18,20H,14-17,19H2,1H3,(H2,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526961 (CHEMBL4576013) Show SMILES COCC(COC)n1c(nc2ccccc12)-c1cc(C)c(=O)n(C)c1 Show InChI InChI=1S/C19H23N3O3/c1-13-9-14(10-21(2)19(13)23)18-20-16-7-5-6-8-17(16)22(18)15(11-24-3)12-25-4/h5-10,15H,11-12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189408 (CHEMBL3828194) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N(C)C Show InChI InChI=1S/C19H22N4O3/c1-21(2)14-11-16-15(22(3)19(25)23(16)4)10-13(14)20-18(24)12-8-6-7-9-17(12)26-5/h6-11H,1-5H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50032927 (CHEMBL3356143 | N-[2,3-Dihydro-1,3-dimethyl-2-oxo-...) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCC1 Show InChI InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay				ACS Med Chem Lett 5: 1190-5 (2014) Article DOI: 10.1021/ml5002932 BindingDB Entry DOI: 10.7270/Q2445P29
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27668 (2-[(4-fluoro-3-{[4-(2-phenoxypropanoyl)piperazin-1...) Show SMILES CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cc(COc2ccccc2C(N)=O)ccc1F Show InChI InChI=1S/C28H28FN3O5/c1-19(37-21-7-3-2-4-8-21)27(34)31-13-15-32(16-14-31)28(35)23-17-20(11-12-24(23)29)18-36-25-10-6-5-9-22(25)26(30)33/h2-12,17,19H,13-16,18H2,1H3,(H2,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526967 (CHEMBL4579229) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1CC1CC2(COC2)C1 Show InChI InChI=1S/C21H23N3O2/c1-14-7-16(11-23(2)20(14)25)19-22-17-5-3-4-6-18(17)24(19)10-15-8-21(9-15)12-26-13-21/h3-7,11,15H,8-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526950 (CHEMBL4547614) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1CCC1CCOCC1 Show InChI InChI=1S/C21H25N3O2/c1-15-13-17(14-23(2)21(15)25)20-22-18-5-3-4-6-19(18)24(20)10-7-16-8-11-26-12-9-16/h3-6,13-14,16H,7-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50302285 (2,6-dimethoxy-4-(5-(2-morpholinopyrimidin-4-yl)fur...) Show SMILES COc1cc(cc(OC)c1O)-c1ccc(o1)-c1ccnc(n1)N1CCOCC1 Show InChI InChI=1S/C20H21N3O5/c1-25-17-11-13(12-18(26-2)19(17)24)15-3-4-16(28-15)14-5-6-21-20(22-14)23-7-9-27-10-8-23/h3-6,11-12,24H,7-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of mTOR kinase in human HeLa cells by ELISA				Bioorg Med Chem Lett 19: 5898-901 (2009) Article DOI: 10.1016/j.bmcl.2009.08.069 BindingDB Entry DOI: 10.7270/Q2NG4QPH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27664 (2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]meth...) Show SMILES NC(=O)c1ccccc1OCc1ccc(F)c(c1)C(=O)N1CCNCC1 Show InChI InChI=1S/C19H20FN3O3/c20-16-6-5-13(11-15(16)19(25)23-9-7-22-8-10-23)12-26-17-4-2-1-3-14(17)18(21)24/h1-6,11,22H,7-10,12H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189348 (CHEMBL3827114) Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccn1 Show InChI InChI=1S/C18H20N4O3/c1-11(2)25-16-10-15-14(21(3)18(24)22(15)4)9-13(16)20-17(23)12-7-5-6-8-19-12/h5-11H,1-4H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189405 (CHEMBL3828354) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCN[C@@H](C)C1 |r| Show InChI InChI=1S/C22H27N5O3/c1-14-13-27(10-9-23-14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189357 (CHEMBL3827560) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNCC1 Show InChI InChI=1S/C21H25N5O3/c1-24-17-12-15(23-20(27)14-6-4-5-7-19(14)29-3)16(26-10-8-22-9-11-26)13-18(17)25(2)21(24)28/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526963 (CHEMBL4456922) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1CC1CCOCC1 Show InChI InChI=1S/C20H23N3O2/c1-14-11-16(13-22(2)20(14)24)19-21-17-5-3-4-6-18(17)23(19)12-15-7-9-25-10-8-15/h3-6,11,13,15H,7-10,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50032912 (CHEMBL1522313) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1 Show InChI InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay				ACS Med Chem Lett 5: 1190-5 (2014) Article DOI: 10.1021/ml5002932 BindingDB Entry DOI: 10.7270/Q2445P29
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526971 (CHEMBL4570497) Show SMILES Cc1cc(cn(C)c1=O)-c1nc2ccccc2n1C[C@H]1CC[C@H](O)CC1 |r,wU:19.21,wD:22.25,(17.38,-54.83,;16.61,-53.5,;15.07,-53.5,;14.29,-52.17,;15.05,-50.84,;16.58,-50.82,;17.34,-49.48,;17.37,-52.16,;18.91,-52.15,;12.75,-52.18,;11.86,-53.44,;10.39,-52.97,;9.04,-53.75,;7.71,-52.98,;7.71,-51.43,;9.04,-50.66,;10.38,-51.42,;11.84,-50.94,;12.31,-49.47,;11.27,-48.33,;9.76,-48.67,;8.73,-47.52,;9.2,-46.06,;8.16,-44.91,;10.7,-45.73,;11.73,-46.87,)| Show InChI InChI=1S/C21H25N3O2/c1-14-11-16(13-23(2)21(14)26)20-22-18-5-3-4-6-19(18)24(20)12-15-7-9-17(25)10-8-15/h3-6,11,13,15,17,25H,7-10,12H2,1-2H3/t15-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GSK Curated by ChEMBL					Assay Description Displacement of Alexa Fluor 647 labelled ligand from recombinant human N-terminal His6-tagged BRD4 BD1 (1 to 477 residues)/BD2 Y390A mutant incubated...				J Med Chem 63: 714-746 (2020) Article DOI: 10.1021/acs.jmedchem.9b01670 BindingDB Entry DOI: 10.7270/Q2TF01RT
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50032917 (CHEMBL1724375) Show SMILES Cn1c2cc(NC(=O)c3ccccc3)c(cc2n(C)c1=O)N1CCCCC1 Show InChI InChI=1S/C21H24N4O2/c1-23-18-13-16(22-20(26)15-9-5-3-6-10-15)17(25-11-7-4-8-12-25)14-19(18)24(2)21(23)27/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay				ACS Med Chem Lett 5: 1190-5 (2014) Article DOI: 10.1021/ml5002932 BindingDB Entry DOI: 10.7270/Q2445P29
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50032918 (CHEMBL3356140) Show SMILES COc1cccc(c1)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1 Show InChI InChI=1S/C22H26N4O3/c1-24-19-13-17(23-21(27)15-8-7-9-16(12-15)29-3)18(26-10-5-4-6-11-26)14-20(19)25(2)22(24)28/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to 6H-Flag-tagged Tev-BRPF1 (622-738 aa) (unknown origin) by TR-FRET competitive assay				ACS Med Chem Lett 5: 1190-5 (2014) Article DOI: 10.1021/ml5002932 BindingDB Entry DOI: 10.7270/Q2445P29
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50310989 ((5-(2-((2R,6S)-2,6-dimethylmorpholino)-4-morpholin...) Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 |r| Show InChI InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of mTORC1 in human U87MG cells assessed as phosphorylated S6 ribosomal protein (Ser235/236) level after 2 hrs by Western blotting				Bioorg Med Chem Lett 19: 5950-3 (2009) Article DOI: 10.1016/j.bmcl.2009.08.038 BindingDB Entry DOI: 10.7270/Q2GT5NBG
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189411 (CHEMBL3827996) Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCC(N)=O Show InChI InChI=1S/C21H24N4O5/c1-12(2)30-18-10-16-15(24(3)21(28)25(16)4)9-14(18)23-20(27)13-7-5-6-8-17(13)29-11-19(22)26/h5-10,12H,11H2,1-4H3,(H2,22,26)(H,23,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189339 (CHEMBL3828500) Show SMILES COCCOc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C Show InChI InChI=1S/C22H27N3O5/c1-14(2)30-20-13-18-17(24(3)22(27)25(18)4)12-16(20)23-21(26)15-8-6-7-9-19(15)29-11-10-28-5/h6-9,12-14H,10-11H2,1-5H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189340 (CHEMBL3828146) Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCC(=O)N(C)C Show InChI InChI=1S/C23H28N4O5/c1-14(2)32-20-12-18-17(26(5)23(30)27(18)6)11-16(20)24-22(29)15-9-7-8-10-19(15)31-13-21(28)25(3)4/h7-12,14H,13H2,1-6H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189354 (CHEMBL3828061) Show SMILES COc1cccnc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1OC(C)C Show InChI InChI=1S/C19H22N4O4/c1-11(2)27-16-10-14-13(22(3)19(25)23(14)4)9-12(16)21-18(24)17-15(26-5)7-6-8-20-17/h6-11H,1-5H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50310989 ((5-(2-((2R,6S)-2,6-dimethylmorpholino)-4-morpholin...) Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 |r| Show InChI InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of mTORC1 in human U87MG cells assessed as phosphorylated S6 ribosomal protein (Ser235/236) level after 2 hrs by Western blotting				Bioorg Med Chem Lett 19: 5950-3 (2009) Article DOI: 10.1016/j.bmcl.2009.08.038 BindingDB Entry DOI: 10.7270/Q2GT5NBG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27672 (2-(2-{3-[(4-cyclopentanecarbonylpiperazin-1-yl)car...) Show SMILES NC(=O)c1ccccc1OCCc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C26H30FN3O4/c27-22-10-9-18(11-16-34-23-8-4-3-7-20(23)24(28)31)17-21(22)26(33)30-14-12-29(13-15-30)25(32)19-5-1-2-6-19/h3-4,7-10,17,19H,1-2,5-6,11-16H2,(H2,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189410 (CHEMBL3828449) Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccccc1OCCO Show InChI InChI=1S/C21H25N3O5/c1-13(2)29-19-12-17-16(23(3)21(27)24(17)4)11-15(19)22-20(26)14-7-5-6-8-18(14)28-10-9-25/h5-8,11-13,25H,9-10H2,1-4H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189351 (CHEMBL3827276) Show SMILES CC(C)Oc1cc2n(C)c(=O)n(C)c2cc1NC(=O)c1ccncn1 Show InChI InChI=1S/C17H19N5O3/c1-10(2)25-15-8-14-13(21(3)17(24)22(14)4)7-12(15)20-16(23)11-5-6-18-9-19-11/h5-10H,1-4H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50189404 (CHEMBL3828026) Show SMILES COc1ccccc1C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCNC[C@@H]1C |r| Show InChI InChI=1S/C22H27N5O3/c1-14-13-23-9-10-27(14)17-12-19-18(25(2)22(29)26(19)3)11-16(17)24-21(28)15-7-5-6-8-20(15)30-4/h5-8,11-12,14,23H,9-10,13H2,1-4H3,(H,24,28)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-Flag-TEV-BRPF1 (622 to 738 residues) (unknown origin) expressed in Esc...				ACS Med Chem Lett 7: 552-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00092 BindingDB Entry DOI: 10.7270/Q2S184G2
					More data for this Ligand-Target Pair

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