Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'vanderporten' and Initial = 'ec'   

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
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM24933 (2-amino-isoxazolopyridine, 9 | 3-(2H-1,3-benzodiox...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O3/c1-13(14-5-3-2-4-6-14)23-20-10-16-19(11-22-20)27-24-21(16)15-7-8-17-18(9-15)26-12-25-17/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511732 (CHEMBL4434743) Show SMILES OCCn1c2ccccc2c2cncn12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins...				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM370419 (2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol | US1023...) Show SMILES OCCC1c2ccccc2-c2cncn12 Show InChI InChI=1S/C12H12N2O/c15-6-5-11-9-3-1-2-4-10(9)12-7-13-8-14(11)12/h1-4,7-8,11,15H,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins...				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25517 (2-amino-pyrazolopyridine, 28 | 3-[3-chloro-5-(3-me...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(O)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C24H23ClN4O2/c1-15(18-6-4-3-5-7-18)27-23-13-22-21(14-26-23)16(2)28-29(22)20-11-17(8-9-24(30)31)10-19(25)12-20/h3-7,10-15H,8-9H2,1-2H3,(H,26,27)(H,30,31)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM24933 (2-amino-isoxazolopyridine, 9 | 3-(2H-1,3-benzodiox...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O3/c1-13(14-5-3-2-4-6-14)23-20-10-16-19(11-22-20)27-24-21(16)15-7-8-17-18(9-15)26-12-25-17/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25518 (2-amino-pyrazolopyridine, 29 | 3-[3-chloro-5-(3-me...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C24H24ClN5O/c1-15(18-6-4-3-5-7-18)28-24-13-22-21(14-27-24)16(2)29-30(22)20-11-17(8-9-23(26)31)10-19(25)12-20/h3-7,10-15H,8-9H2,1-2H3,(H2,26,31)(H,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25522 (2-[3-chloro-5-(3-methyl-6-{[(1S)-1-phenylethyl]ami...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C28H24ClN5O/c1-17(19-8-4-3-5-9-19)32-27-15-26-25(16-31-27)18(2)33-34(26)22-13-20(12-21(29)14-22)23-10-6-7-11-24(23)28(30)35/h3-17H,1-2H3,(H2,30,35)(H,31,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25519 (2-amino-pyrazolopyridine, 30 | 3-[3-chloro-5-(3-me...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(=O)NCCO)c1)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClN5O2/c1-17(20-6-4-3-5-7-20)30-25-15-24-23(16-29-25)18(2)31-32(24)22-13-19(12-21(27)14-22)8-9-26(34)28-10-11-33/h3-7,12-17,33H,8-11H2,1-2H3,(H,28,34)(H,29,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25523 (2-[3-chloro-5-(6-{[(1S)-1-phenylethyl]amino}-1H-py...) Show SMILES C[C@H](Nc1cc2n(ncc2cn1)-c1cc(Cl)cc(c1)-c1ccccc1C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H22ClN5O/c1-17(18-7-3-2-4-8-18)32-26-14-25-20(15-30-26)16-31-33(25)22-12-19(11-21(28)13-22)23-9-5-6-10-24(23)27(29)34/h2-17H,1H3,(H2,29,34)(H,30,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24935 (2-amino-isoxazolopyridine, 15 | 3-[3-chloro-5-(5-{...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H21ClN4O2/c1-14(16-5-3-2-4-6-16)27-22-12-19-20(13-26-22)30-28-23(19)17-9-15(7-8-21(25)29)10-18(24)11-17/h2-6,9-14H,7-8H2,1H3,(H2,25,29)(H,26,27)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25520 (1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCCN)c1)c1ccccc1 |r| Show InChI InChI=1S/C24H26ClN5/c1-16(19-8-4-3-5-9-19)28-24-14-23-22(15-27-24)17(2)29-30(23)21-12-18(7-6-10-26)11-20(25)13-21/h3-5,8-9,11-16H,6-7,10,26H2,1-2H3,(H,27,28)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50511733 (CHEMBL4443553) Show SMILES OCCC1c2cncn2-c2ccccc12 Show InChI InChI=1S/C12H12N2O/c15-6-5-10-9-3-1-2-4-11(9)14-8-13-7-12(10)14/h1-4,7-8,10,15H,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins...				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24934 (2-amino-isoxazolopyridine, 13 | 3-[3-chloro-5-(5-{...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCCO)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H22ClN3O2/c1-15(17-7-3-2-4-8-17)26-22-13-20-21(14-25-22)29-27-23(20)18-10-16(6-5-9-28)11-19(24)12-18/h2-4,7-8,10-15,28H,5-6,9H2,1H3,(H,25,26)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50511717 (CHEMBL4437257) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2cnccc2[C@H]1O |r| Show InChI InChI=1S/C19H17N3O/c23-19-13-7-8-20-9-12(13)5-6-16(19)18-15-4-2-1-3-14(15)17-10-21-11-22(17)18/h1-4,7-11,16,18-19,23H,5-6H2/t16-,18+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24926 (1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C21H19ClN4/c1-14(16-7-4-3-5-8-16)24-21-12-20-19(13-23-21)15(2)25-26(20)18-10-6-9-17(22)11-18/h3-14H,1-2H3,(H,23,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24926 (1-(3-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C21H19ClN4/c1-14(16-7-4-3-5-8-16)24-21-12-20-19(13-23-21)15(2)25-26(20)18-10-6-9-17(22)11-18/h3-14H,1-2H3,(H,23,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25514 (1-(3,5-dimethylphenyl)-3-methyl-N-[(1S)-1-phenylet...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(C)cc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H24N4/c1-15-10-16(2)12-20(11-15)27-22-13-23(24-14-21(22)18(4)26-27)25-17(3)19-8-6-5-7-9-19/h5-14,17H,1-4H3,(H,24,25)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM24935 (2-amino-isoxazolopyridine, 15 | 3-[3-chloro-5-(5-{...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H21ClN4O2/c1-14(16-5-3-2-4-6-16)27-22-12-19-20(13-26-22)30-28-23(19)17-9-15(7-8-21(25)29)10-18(24)11-17/h2-6,9-14H,7-8H2,1H3,(H2,25,29)(H,26,27)/t14-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25521 (2-amino-pyrazolopyridine, 37 | N-{2-[3-chloro-5-(3...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1NC(C)=O)c1ccccc1 |r| Show InChI InChI=1S/C29H26ClN5O/c1-18(21-9-5-4-6-10-21)32-29-16-28-26(17-31-29)19(2)34-35(28)24-14-22(13-23(30)15-24)25-11-7-8-12-27(25)33-20(3)36/h4-18H,1-3H3,(H,31,32)(H,33,36)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24933 (2-amino-isoxazolopyridine, 9 | 3-(2H-1,3-benzodiox...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 |r| Show InChI InChI=1S/C21H17N3O3/c1-13(14-5-3-2-4-6-14)23-20-10-16-19(11-22-20)27-24-21(16)15-7-8-17-18(9-15)26-12-25-17/h2-11,13H,12H2,1H3,(H,22,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25513 (1-(3-methanesulfonylphenyl)-3-methyl-N-[(1S)-1-phe...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(c1)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C22H22N4O2S/c1-15(17-8-5-4-6-9-17)24-22-13-21-20(14-23-22)16(2)25-26(21)18-10-7-11-19(12-18)29(3,27)28/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25516 (1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phen...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(Br)c1)c1ccccc1 |r| Show InChI InChI=1S/C21H18BrClN4/c1-13(15-6-4-3-5-7-15)25-21-11-20-19(12-24-21)14(2)26-27(20)18-9-16(22)8-17(23)10-18/h3-13H,1-2H3,(H,24,25)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	274	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24930 (2-amino-isoxazolopyridine, 6 | 3-(3,5-dimethylphen...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cc(C)cc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H21N3O/c1-14-9-15(2)11-18(10-14)22-19-12-21(23-13-20(19)26-25-22)24-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,23,24)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25511 (2-amino-pyrazolopyridine, 17 | 3-(3-methyl-6-{[(1S...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(c1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C22H19N5/c1-15(18-8-4-3-5-9-18)25-22-12-21-20(14-24-22)16(2)26-27(21)19-10-6-7-17(11-19)13-23/h3-12,14-15H,1-2H3,(H,24,25)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM370555 ((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...) Show SMILES O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)| Show InChI InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25508 (1-(3-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C21H19FN4/c1-14(16-7-4-3-5-8-16)24-21-12-20-19(13-23-21)15(2)25-26(20)18-10-6-9-17(22)11-18/h3-14H,1-2H3,(H,23,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	464	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25502 (2-amino-pyrazolopyridine, 7 | 3-methyl-1-(3-methyl...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H22N4/c1-15-8-7-11-19(12-15)26-21-13-22(23-14-20(21)17(3)25-26)24-16(2)18-9-5-4-6-10-18/h4-14,16H,1-3H3,(H,23,24)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	474	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24928 (2-amino-isoxazolopyridine, 4 | 3-(3-methylphenyl)-...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cccc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C21H19N3O/c1-14-7-6-10-17(11-14)21-18-12-20(22-13-19(18)25-24-21)23-15(2)16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	549	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM25518 (2-amino-pyrazolopyridine, 29 | 3-[3-chloro-5-(3-me...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C24H24ClN5O/c1-15(18-6-4-3-5-7-18)28-24-13-22-21(14-27-24)16(2)29-30(22)20-11-17(8-9-23(26)31)10-19(25)12-20/h3-7,10-15H,8-9H2,1-2H3,(H2,26,31)(H,27,28)/t15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	597	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50511719 (CHEMBL4548068) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCOC[C@H]1O |r| Show InChI InChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24931 (2-amino-isoxazolopyridine, 7 | 3-(3-chlorophenyl)-...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C20H16ClN3O/c1-13(14-6-3-2-4-7-14)23-19-11-17-18(12-22-19)25-24-20(17)15-8-5-9-16(21)10-15/h2-13H,1H3,(H,22,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	625	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25515 (1-(3,5-dichlorophenyl)-3-methyl-N-[(1S)-1-phenylet...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C21H18Cl2N4/c1-13(15-6-4-3-5-7-15)25-21-11-20-19(12-24-21)14(2)26-27(20)18-9-16(22)8-17(23)10-18/h3-13H,1-2H3,(H,24,25)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	641	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50511715 (CHEMBL4540245) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])COCC[C@H]1O |r| Show InChI InChI=1S/C15H16N2O2/c18-14-5-6-19-8-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25506 (1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl...) Show SMILES COc1ccc(cc1)-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r| Show InChI InChI=1S/C22H22N4O/c1-15(17-7-5-4-6-8-17)24-22-13-21-20(14-23-22)16(2)25-26(21)18-9-11-19(27-3)12-10-18/h4-15H,1-3H3,(H,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	703	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24938 (2-amino-isoxazolopyridine, 20 | 3-(4-methylthiophe...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cscc1C)c1ccccc1 |r| Show InChI InChI=1S/C19H17N3OS/c1-12-10-24-11-16(12)19-15-8-18(20-9-17(15)23-22-19)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,20,21)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	779	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50511728 (CHEMBL4577396) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccccc2[C@H]1O |r| Show InChI InChI=1S/C20H18N2O/c23-20-14-6-2-1-5-13(14)9-10-17(20)19-16-8-4-3-7-15(16)18-11-21-12-22(18)19/h1-8,11-12,17,19-20,23H,9-10H2/t17-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25512 (1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phe...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(c1)N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C23H25N5/c1-16(18-9-6-5-7-10-18)25-23-14-22-21(15-24-23)17(2)26-28(22)20-12-8-11-19(13-20)27(3)4/h5-16H,1-4H3,(H,24,25)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	977	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24929 (2-amino-isoxazolopyridine, 5 | 3-(4-methylphenyl)-...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1ccc(C)cc1)c1ccccc1 |r| Show InChI InChI=1S/C21H19N3O/c1-14-8-10-17(11-9-14)21-18-12-20(22-13-19(18)25-24-21)23-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24925 (3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]-1H-pyrazo...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4/c1-15(17-9-5-3-6-10-17)23-21-13-20-19(14-22-21)16(2)24-25(20)18-11-7-4-8-12-18/h3-15H,1-2H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24925 (3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]-1H-pyrazo...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H20N4/c1-15(17-9-5-3-6-10-17)23-21-13-20-19(14-22-21)16(2)24-25(20)18-11-7-4-8-12-18/h3-15H,1-2H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM24935 (2-amino-isoxazolopyridine, 15 | 3-[3-chloro-5-(5-{...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H21ClN4O2/c1-14(16-5-3-2-4-6-16)27-22-12-19-20(13-26-22)30-28-23(19)17-9-15(7-8-21(25)29)10-18(24)11-17/h2-6,9-14H,7-8H2,1H3,(H2,25,29)(H,26,27)/t14-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM24928 (2-amino-isoxazolopyridine, 4 | 3-(3-methylphenyl)-...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cccc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C21H19N3O/c1-14-7-6-10-17(11-14)21-18-12-20(22-13-19(18)25-24-21)23-15(2)16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,22,23)/t15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25510 (2-amino-pyrazolopyridine, 16 | 3-methyl-N-[(1S)-1-...) Show SMILES CC(C)c1cccc(c1)-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r| Show InChI InChI=1S/C24H26N4/c1-16(2)20-11-8-12-21(13-20)28-23-14-24(25-15-22(23)18(4)27-28)26-17(3)19-9-6-5-7-10-19/h5-17H,1-4H3,(H,25,26)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50511729 (CHEMBL4589215) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)P(C)(C)=O |r| Show InChI InChI=1S/C22H23N2O2P/c1-27(2,26)15-9-7-14-8-10-18(22(25)19(14)11-15)21-17-6-4-3-5-16(17)20-12-23-13-24(20)21/h3-7,9,11-13,18,21-22,25H,8,10H2,1-2H3/t18-,21+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24927 (2-amino-isoxazolopyridine, 3 | 3-phenyl-N-[(1S)-1-...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H17N3O/c1-14(15-8-4-2-5-9-15)22-19-12-17-18(13-21-19)24-23-20(17)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM25521 (2-amino-pyrazolopyridine, 37 | N-{2-[3-chloro-5-(3...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1NC(C)=O)c1ccccc1 |r| Show InChI InChI=1S/C29H26ClN5O/c1-18(21-9-5-4-6-10-21)32-29-16-28-26(17-31-29)19(2)34-35(28)24-14-22(13-23(30)15-24)25-11-7-8-12-27(25)33-20(3)36/h4-18H,1-3H3,(H,31,32)(H,33,36)/t18-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50511727 (CHEMBL4447185) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccncc2[C@H]1O |r| Show InChI InChI=1S/C19H17N3O/c23-19-15(6-5-12-7-8-20-9-16(12)19)18-14-4-2-1-3-13(14)17-10-21-11-22(17)18/h1-4,7-11,15,18-19,23H,5-6H2/t15-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM25518 (2-amino-pyrazolopyridine, 29 | 3-[3-chloro-5-(3-me...) Show SMILES C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r| Show InChI InChI=1S/C24H24ClN5O/c1-15(18-6-4-3-5-7-18)28-24-13-22-21(14-27-24)16(2)29-30(22)20-11-17(8-9-23(26)31)10-19(25)12-20/h3-7,10-15H,8-9H2,1-2H3,(H2,26,31)(H,27,28)/t15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5648-52 (2008) Article DOI: 10.1016/j.bmcl.2008.08.095 BindingDB Entry DOI: 10.7270/Q29C6VRP
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50511716 (CHEMBL4539108) Show SMILES [H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2cc(ccc2[C@H]1O)S(C)(=O)=O |r| Show InChI InChI=1S/C21H20N2O3S/c1-27(25,26)14-7-9-15-13(10-14)6-8-18(21(15)24)20-17-5-3-2-4-16(17)19-11-22-12-23(19)20/h2-5,7,9-12,18,20-21,24H,6,8H2,1H3/t18-,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM24937 (2-amino-isoxazolopyridine, 19 | N-[(1S)-1-phenylet...) Show SMILES C[C@H](Nc1cc2c(noc2cn1)-c1cccs1)c1ccccc1 |r| Show InChI InChI=1S/C18H15N3OS/c1-12(13-6-3-2-4-7-13)20-17-10-14-15(11-19-17)22-21-18(14)16-8-5-9-23-16/h2-12H,1H3,(H,19,20)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.01E+3	n/a	n/a	n/a	n/a	7.2	30
Sunesis Pharmaceuticals					Assay Description An IMAP fluorescence polarization-based assay format (Molecular Devices) was used to determine the ability of compounds to inhibit the phosphorylatio...				Bioorg Med Chem Lett 18: 5186-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.091 BindingDB Entry DOI: 10.7270/Q22Z13T8
					More data for this Ligand-Target Pair

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