Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'sarris' and Initial = 'ka'   

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
Polycomb protein EED (Homo sapiens (Human))	BDBM50235631 (CHEMBL4060827) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25?,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235630 (CHEMBL4093096) Show SMILES CN(C)[C@H]1CC(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H36FN3O2S/c1-29(2)26-18-21(23-12-9-20-5-4-6-25(28)27(20)23)17-24(26)19-7-10-22(11-8-19)30-13-15-31(16-14-30)34(3,32)33/h4-8,10-11,21,23-24,26H,9,12-18H2,1-3H3/t21?,23?,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185854 (US9163007, 185) Show SMILES CN(C)c1ccc(cc1)-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 Show InChI InChI=1S/C24H23N7/c1-30(2)19-11-8-17(9-12-19)23-22(18-10-13-21-20(14-18)24(25)28-26-21)27-29-31(23)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H3,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50388878 (CHEMBL1999931 | US9163007, 73) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(17-9-5-2-6-10-17)24-22-19-13-18(11-12-20(19)25-27-22)21-15-29(28-26-21)14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,24,25,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185901 (US9163007, 408) Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C23H18FN5/c1-15-20-13-18(9-12-21(20)26-25-15)22-23(17-7-10-19(24)11-8-17)29(28-27-22)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.428	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235643 (CHEMBL4076017) Show SMILES CN(C)[C@H]1CN(C[C@@H]1C1CCN(CC1)c1ccc(cn1)C(N)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C26H34FN5O/c1-30(2)23-16-32(22-8-6-18-4-3-5-21(27)25(18)22)15-20(23)17-10-12-31(13-11-17)24-9-7-19(14-29-24)26(28)33/h3-5,7,9,14,17,20,22-23H,6,8,10-13,15-16H2,1-2H3,(H2,28,33)/t20-,22?,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185899 (US9163007, 406) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1cccs1 Show InChI InChI=1S/C20H16N6S/c21-20-15-11-14(8-9-16(15)22-24-20)18-19(17-7-4-10-27-17)26(25-23-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185888 (US9163007, 395) Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C23H17FN6O/c24-18-8-4-7-17(11-18)23(31)25-22-19-12-16(9-10-20(19)26-28-22)21-14-30(29-27-21)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,25,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50388878 (CHEMBL1999931 | US9163007, 73) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(17-9-5-2-6-10-17)24-22-19-13-18(11-12-20(19)25-27-22)21-15-29(28-26-21)14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,24,25,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185839 (US9163007, 87) Show SMILES C(c1ccccc1)n1nnc(c1-c1ccccc1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C22H17N5/c1-3-7-16(8-4-1)15-27-22(17-9-5-2-6-10-17)21(25-26-27)18-11-12-20-19(13-18)14-23-24-20/h1-14H,15H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.601	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235658 (CHEMBL4073166) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1C1CCN(CC1)c1cnc(cn1)C(N)=O |r| Show InChI InChI=1S/C24H33FN6O/c1-16-5-4-6-20(25)18(16)13-30-14-19(22(15-30)29(2)3)17-7-9-31(10-8-17)23-12-27-21(11-28-23)24(26)32/h4-6,11-12,17,19,22H,7-10,13-15H2,1-3H3,(H2,26,32)/t19-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235644 (CHEMBL4065766) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2c(cccc12)N1CCN(C)C(=O)C1 |r| Show InChI InChI=1S/C28H36FN5O/c1-19-8-6-10-24(29)21(19)15-33-16-23(26(17-33)30(2)3)22-14-32(5)28-20(22)9-7-11-25(28)34-13-12-31(4)27(35)18-34/h6-11,14,23,26H,12-13,15-18H2,1-5H3/t23-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185858 (US9163007, 198) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185846 (US9163007, 151) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H17FN6/c23-17-9-6-15(7-10-17)21-20(16-8-11-19-18(12-16)22(24)27-25-19)26-28-29(21)13-14-4-2-1-3-5-14/h1-12H,13H2,(H3,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185863 (US9163007, 205) Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1 Show InChI InChI=1S/C26H21FN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185858 (US9163007, 198) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235632 (CHEMBL4077363) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2c(cccc12)C(=O)N1CC(F)C1 |r| Show InChI InChI=1S/C27H32F2N4O/c1-17-7-5-10-24(29)21(17)14-32-15-23(25(16-32)30(2)3)22-13-31(4)26-19(22)8-6-9-20(26)27(34)33-11-18(28)12-33/h5-10,13,18,23,25H,11-12,14-16H2,1-4H3/t23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM217112 (US9302989, 407) Show SMILES O=C(Nc1ccc(cc1)C1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1 Show InChI InChI=1S/C27H27N3O2/c31-26(22-6-2-1-3-7-22)29-16-14-21(15-17-29)20-10-12-25(13-11-20)28-27(32)30-18-23-8-4-5-9-24(23)19-30/h1-13,21H,14-19H2,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185888 (US9163007, 395) Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C23H17FN6O/c24-18-8-4-7-17(11-18)23(31)25-22-19-12-16(9-10-20(19)26-28-22)21-14-30(29-27-21)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,25,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185850 (US9163007, 167) Show SMILES Fc1ccc(cc1)-c1c(nnn1CC1CCOCC1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C21H20FN5O/c22-18-4-1-15(2-5-18)21-20(16-3-6-19-17(11-16)12-23-24-19)25-26-27(21)13-14-7-9-28-10-8-14/h1-6,11-12,14H,7-10,13H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.05	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185898 (US9163007, 405) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1Cc1ccccc1 Show InChI InChI=1S/C23H20N6/c24-23-19-14-18(11-12-20(19)25-27-23)22-21(13-16-7-3-1-4-8-16)29(28-26-22)15-17-9-5-2-6-10-17/h1-12,14H,13,15H2,(H3,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185841 (US9163007, 102) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C22H18N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H3,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254198 (CHEMBL4060799) Show SMILES CN1CCN(CC1)C(C)(C)C(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 Show InChI InChI=1S/C29H39N5O2/c1-29(2,34-18-16-31(3)17-19-34)27(35)32-14-12-23(13-15-32)22-8-10-26(11-9-22)30-28(36)33-20-24-6-4-5-7-25(24)21-33/h4-11,23H,12-21H2,1-3H3,(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM217057 (US9302989, 349) Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1 Show InChI InChI=1S/C25H31N3O2/c29-24(21-9-2-1-3-10-21)27-16-13-20(14-17-27)8-6-7-15-26-25(30)28-18-22-11-4-5-12-23(22)19-28/h1-5,9-12,20H,6-8,13-19H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254199 (CHEMBL4083505) Show SMILES Clc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C1CCN(CC1)C(=O)[C@@H]1CCCO1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-21-6-3-19-15-29(16-20(19)14-21)25(31)27-22-7-4-17(5-8-22)18-9-11-28(12-10-18)24(30)23-2-1-13-32-23/h3-8,14,18,23H,1-2,9-13,15-16H2,(H,27,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254216 (CHEMBL4096471) Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C1CN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H22FN3O2/c26-22-9-6-19-13-29(14-20(19)12-22)25(31)27-23-10-7-17(8-11-23)21-15-28(16-21)24(30)18-4-2-1-3-5-18/h1-12,21H,13-16H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185855 (US9163007, 189) Show SMILES Cn1cc(cn1)-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 Show InChI InChI=1S/C20H18N8/c1-27-12-15(10-22-27)19-18(14-7-8-17-16(9-14)20(21)25-23-17)24-26-28(19)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,21,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235649 (CHEMBL4059553) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)c1ccccn1 |r| Show InChI InChI=1S/C29H36FN5/c1-22-7-6-8-27(30)25(22)19-33-20-26(28(21-33)32(2)3)23-10-12-24(13-11-23)34-15-17-35(18-16-34)29-9-4-5-14-31-29/h4-14,26,28H,15-21H2,1-3H3/t26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185841 (US9163007, 102) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C22H18N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H3,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185846 (US9163007, 151) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H17FN6/c23-17-9-6-15(7-10-17)21-20(16-8-11-19-18(12-16)22(24)27-25-19)26-28-29(21)13-14-4-2-1-3-5-14/h1-12H,13H2,(H3,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185848 (US9163007, 162) Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1C |(1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;14,-4.28,;14.9,-5.53,;14.28,-6.94,;12.74,-7.1,;11.84,-5.85,;9,-2.22,;9.32,-.71,;8.17,.32,;8.49,1.83,;9.96,2.3,;11.1,1.27,;10.78,-.23,;11.93,-1.26,)| Show InChI InChI=1S/C24H21N5/c1-16-8-6-7-11-20(16)24-23(19-12-13-22-21(14-19)17(2)25-26-22)27-28-29(24)15-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.25	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185863 (US9163007, 205) Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1 Show InChI InChI=1S/C26H21FN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254215 (CHEMBL4089003) Show SMILES CC(C)(O)CC(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 Show InChI InChI=1S/C25H30FN3O3/c1-25(2,32)14-23(30)28-11-9-18(10-12-28)17-4-7-22(8-5-17)27-24(31)29-15-19-3-6-21(26)13-20(19)16-29/h3-8,13,18,32H,9-12,14-16H2,1-2H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235648 (CHEMBL4081496) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C26H35FN4O/c1-19-6-5-7-25(27)23(19)16-29-17-24(26(18-29)28(3)4)21-8-10-22(11-9-21)31-14-12-30(13-15-31)20(2)32/h5-11,24,26H,12-18H2,1-4H3/t24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235647 (CHEMBL4068192) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)-c1cnn(CC(N)=O)c1 |r| Show InChI InChI=1S/C25H30FN5O/c1-17-5-4-6-23(26)21(17)13-30-14-22(24(15-30)29(2)3)19-9-7-18(8-10-19)20-11-28-31(12-20)16-25(27)32/h4-12,22,24H,13-16H2,1-3H3,(H2,27,32)/t22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against neutral endopeptidase (NEP) from rat kidney				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435350 (CHEMBL17289) Show SMILES Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22| Show InChI InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM217040 (US9302989, 332) Show SMILES O=C(Nc1ccc(cc1)C1=CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1 |t:10| Show InChI InChI=1S/C27H25N3O2/c31-26(22-6-2-1-3-7-22)29-16-14-21(15-17-29)20-10-12-25(13-11-20)28-27(32)30-18-23-8-4-5-9-24(23)19-30/h1-14H,15-19H2,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM81395 (APO-866) Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 Show InChI InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185849 (US9163007, 163) Show SMILES Cc1ccccc1-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 |(11.93,-1.26,;10.78,-.23,;11.1,1.27,;9.96,2.3,;8.49,1.83,;8.17,.32,;9.32,-.71,;9,-2.22,;7.59,-2.84,;7.75,-4.37,;9.26,-4.69,;10.03,-3.36,;11.56,-3.2,;12.47,-4.45,;14,-4.28,;14.9,-5.53,;14.28,-6.94,;12.74,-7.1,;11.84,-5.85,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;3.59,-2.07,;4.92,-2.84,)| Show InChI InChI=1S/C23H20N6/c1-15-7-5-6-10-18(15)22-21(17-11-12-20-19(13-17)23(24)27-25-20)26-28-29(22)14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H3,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254212 (CHEMBL4076064) Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C1CCN(CC1)S(=O)(=O)C1CC1 Show InChI InChI=1S/C23H26FN3O3S/c24-20-4-1-18-14-26(15-19(18)13-20)23(28)25-21-5-2-16(3-6-21)17-9-11-27(12-10-17)31(29,30)22-7-8-22/h1-6,13,17,22H,7-12,14-15H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254192 (CHEMBL4105475) Show SMILES CC1(CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 Show InChI InChI=1S/C25H29N3O2/c1-25(12-13-25)23(29)27-14-10-19(11-15-27)18-6-8-22(9-7-18)26-24(30)28-16-20-4-2-3-5-21(20)17-28/h2-9,19H,10-17H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235660 (CHEMBL4072329) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(nc1)C1=CCN(CC1)C(=O)CS(C)(=O)=O |r,t:26| Show InChI InChI=1S/C27H35FN4O3S/c1-19-6-5-7-24(28)22(19)15-31-16-23(26(17-31)30(2)3)21-8-9-25(29-14-21)20-10-12-32(13-11-20)27(33)18-36(4,34)35/h5-10,14,23,26H,11-13,15-18H2,1-4H3/t23-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM215830 (US9302989, 25) Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccc(cc3C2)C#N)cc1 Show InChI InChI=1S/C22H24N4O2/c1-15(2)9-10-24-21(27)17-5-7-20(8-6-17)25-22(28)26-13-18-4-3-16(12-23)11-19(18)14-26/h3-8,11,15H,9-10,13-14H2,1-2H3,(H,24,27)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM217170 (US9302989, 608) Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1 Show InChI InChI=1S/C22H27N3O3/c1-15(2)9-10-23-21(27)17-5-7-20(8-6-17)24-22(28)25-12-18-4-3-16(14-26)11-19(18)13-25/h3-8,11,15,26H,9-10,12-14H2,1-2H3,(H,23,27)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185894 (US9163007, 401) Show SMILES C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]nc(-c3cccs3)c2c1 Show InChI InChI=1S/C20H15N5S/c1-2-5-14(6-3-1)12-25-13-18(22-24-25)15-8-9-17-16(11-15)20(23-21-17)19-7-4-10-26-19/h1-11,13H,12H2,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.92	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254214 (CHEMBL4086819) Show SMILES CC1(COC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 Show InChI InChI=1S/C25H29N3O3/c1-25(16-31-17-25)23(29)27-12-10-19(11-13-27)18-6-8-22(9-7-18)26-24(30)28-14-20-4-2-3-5-21(20)15-28/h2-9,19H,10-17H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235659 (CHEMBL4077273) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(CC(=O)N(C)C)c2ncccc12 |r| Show InChI InChI=1S/C25H32FN5O/c1-17-8-6-10-22(26)19(17)12-30-13-21(23(15-30)28(2)3)20-14-31(16-24(32)29(4)5)25-18(20)9-7-11-27-25/h6-11,14,21,23H,12-13,15-16H2,1-5H3/t21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM217078 (US9302989, 370) Show SMILES CC(C)CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C20H24N4O2/c1-14(2)9-10-21-19(25)15-7-8-18(22-11-15)23-20(26)24-12-16-5-3-4-6-17(16)13-24/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,25)(H,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254184 (CHEMBL4082366) Show SMILES CC(C)(O)CC(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 Show InChI InChI=1S/C25H31N3O3/c1-25(2,31)15-23(29)27-13-11-19(12-14-27)18-7-9-22(10-8-18)26-24(30)28-16-20-5-3-4-6-21(20)17-28/h3-10,19,31H,11-17H2,1-2H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185870 (US9163007, 224) Show SMILES Clc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1C1CC1 Show InChI InChI=1S/C26H21ClN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.30	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair

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