Compile Data Set for Download or QSAR

Found 606 hits with Last Name = 'kakei' and Initial = 'h'   

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
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425719 (CHEMBL2316217) Show SMILES CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]1CCOc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC(F)(F)CC1 |r| Show InChI InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24+,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533247 (CHEMBL4470356) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4F)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C29H27F5N4O4S/c1-16-14-17(8-11-20(16)30)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)31)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533247 (CHEMBL4470356) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4F)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C29H27F5N4O4S/c1-16-14-17(8-11-20(16)30)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)31)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533251 (CHEMBL4579540) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533251 (CHEMBL4579540) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425721 (CHEMBL2311586) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2CC(F)(F)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H39F4N5O4/c1-17(34-2)25(39)36-24(18-7-10-28(30,31)11-8-18)27(41)38-14-19-13-29(32,33)16-37(19)15-22(38)26(40)35-21-9-12-42-23-6-4-3-5-20(21)23/h3-6,17-19,21-22,24,34H,7-16H2,1-2H3,(H,35,40)(H,36,39)/t17-,19+,21+,22-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533246 (CHEMBL4549646) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4Cl)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C29H27ClF4N4O4S/c1-16-14-17(8-11-20(16)31)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)30)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533246 (CHEMBL4549646) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4Cl)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C29H27ClF4N4O4S/c1-16-14-17(8-11-20(16)31)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)30)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425728 (CHEMBL2365533) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H43N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h6-7,12-13,19-21,23-24,26,30H,3-5,8-11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533249 (CHEMBL4468555) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4C#N)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C30H27F4N5O4S/c1-17-14-18(8-11-22(17)31)27-26(36-24-6-5-7-25(43-4)39(24)27)29(40)38(13-12-37(2)3)23-16-44(41,42)28-19(23)9-10-21(20(28)15-35)30(32,33)34/h5-11,14,23H,12-13,16H2,1-4H3/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533249 (CHEMBL4468555) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4C#N)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r| Show InChI InChI=1S/C30H27F4N5O4S/c1-17-14-18(8-11-22(17)31)27-26(36-24-6-5-7-25(43-4)39(24)27)29(40)38(13-12-37(2)3)23-16-44(41,42)28-19(23)9-10-21(20(28)15-35)30(32,33)34/h5-11,14,23H,12-13,16H2,1-4H3/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425722 (CHEMBL2316215) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O4/c1-18(32-2)26(37)34-25(19-9-12-29(30,31)13-10-19)28(39)36-16-20-6-5-14-35(20)17-23(36)27(38)33-22-11-15-40-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,32H,5-6,9-17H2,1-2H3,(H,33,38)(H,34,37)/t18-,20-,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425725 (CHEMBL2316224) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C29H37N5O4/c1-19(30-2)27(35)32-26(20-9-4-3-5-10-20)29(37)34-17-21-11-8-15-33(21)18-24(34)28(36)31-23-14-16-38-25-13-7-6-12-22(23)25/h3-7,9-10,12-13,19,21,23-24,26,30H,8,11,14-18H2,1-2H3,(H,31,36)(H,32,35)/t19-,21+,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533248 (CHEMBL4515745) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425730 (CHEMBL2316219) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C30H45N5O3/c1-20(31-2)28(36)33-27(22-11-4-3-5-12-22)30(38)35-18-23-14-9-17-34(23)19-26(35)29(37)32-25-16-8-13-21-10-6-7-15-24(21)25/h6-7,10,15,20,22-23,25-27,31H,3-5,8-9,11-14,16-19H2,1-2H3,(H,32,37)(H,33,36)/t20-,23+,25+,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533248 (CHEMBL4515745) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425724 (CHEMBL2316213) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O4/c1-18(32-2)26(37)34-25(19-9-12-29(30,31)13-10-19)28(39)36-16-20-6-5-14-35(20)17-23(36)27(38)33-22-11-15-40-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,32H,5-6,9-17H2,1-2H3,(H,33,38)(H,34,37)/t18-,20+,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425723 (CHEMBL2316214) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C28H41N5O5/c1-18(29-2)26(34)31-25(19-9-13-37-14-10-19)28(36)33-16-20-6-5-12-32(20)17-23(33)27(35)30-22-11-15-38-24-8-4-3-7-21(22)24/h3-4,7-8,18-20,22-23,25,29H,5-6,9-17H2,1-2H3,(H,30,35)(H,31,34)/t18-,20+,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425727 (CHEMBL2316222) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCC(F)(F)c2ccccc12 |r| Show InChI InChI=1S/C30H43F2N5O3/c1-19(33-2)27(38)35-26(20-9-4-3-5-10-20)29(40)37-17-21-11-8-16-36(21)18-25(37)28(39)34-24-14-15-30(31,32)23-13-7-6-12-22(23)24/h6-7,12-13,19-21,24-26,33H,3-5,8-11,14-18H2,1-2H3,(H,34,39)(H,35,38)/t19-,21+,24+,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425720 (CHEMBL2316216) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N1C[C@H]2C[C@@H](O)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C29H41F2N5O5/c1-17(32-2)26(38)34-25(18-7-10-29(30,31)11-8-18)28(40)36-14-19-13-20(37)15-35(19)16-23(36)27(39)33-22-9-12-41-24-6-4-3-5-21(22)24/h3-6,17-20,22-23,25,32,37H,7-16H2,1-2H3,(H,33,39)(H,34,38)/t17-,19+,20+,22+,23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425726 (CHEMBL2316223) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCC(=O)c2ccccc12 |r| Show InChI InChI=1S/C30H43N5O4/c1-19(31-2)28(37)33-27(20-9-4-3-5-10-20)30(39)35-17-21-11-8-16-34(21)18-25(35)29(38)32-24-14-15-26(36)23-13-7-6-12-22(23)24/h6-7,12-13,19-21,24-25,27,31H,3-5,8-11,14-18H2,1-2H3,(H,32,38)(H,33,37)/t19-,21+,24+,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533245 (CHEMBL4579162) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CSc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 Show InChI InChI=1S/C28H27Cl2FN4O2S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(37-4)35(22)26)28(36)34(13-12-33(2)3)21-15-38-27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM50425731 (CHEMBL2316218) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@H](C)c1ccccc1 |r| Show InChI InChI=1S/C28H43N5O3/c1-19(21-11-6-4-7-12-21)30-27(35)24-18-32-16-10-15-23(32)17-33(24)28(36)25(22-13-8-5-9-14-22)31-26(34)20(2)29-3/h4,6-7,11-12,19-20,22-25,29H,5,8-10,13-18H2,1-3H3,(H,30,35)(H,31,34)/t19-,20+,23-,24+,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged cIAP1 protein BIR3 domain (250 to 350 amino acid residues) using biotinylated-Smac as substrate after over...				J Med Chem 56: 1228-46 (2013) Article DOI: 10.1021/jm301674z BindingDB Entry DOI: 10.7270/Q23N24QX
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533245 (CHEMBL4579162) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CSc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 Show InChI InChI=1S/C28H27Cl2FN4O2S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(37-4)35(22)26)28(36)34(13-12-33(2)3)21-15-38-27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533244 (CHEMBL4466617) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CCc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 Show InChI InChI=1S/C29H29Cl2FN4O2/c1-17-16-18(8-12-22(17)32)28-27(33-24-6-5-7-25(38-4)36(24)28)29(37)35(15-14-34(2)3)23-13-10-20-19(23)9-11-21(30)26(20)31/h5-9,11-12,16,23H,10,13-15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533244 (CHEMBL4466617) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CCc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 Show InChI InChI=1S/C29H29Cl2FN4O2/c1-17-16-18(8-12-22(17)32)28-27(33-24-6-5-7-25(38-4)36(24)28)29(37)35(15-14-34(2)3)23-13-10-20-19(23)9-11-21(30)26(20)31/h5-9,11-12,16,23H,10,13-15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533250 (CHEMBL4483703) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CNc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 Show InChI InChI=1S/C28H28Cl2FN5O2/c1-16-14-17(8-11-20(16)31)27-26(33-22-6-5-7-23(38-4)36(22)27)28(37)35(13-12-34(2)3)21-15-32-25-18(21)9-10-19(29)24(25)30/h5-11,14,21,32H,12-13,15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50533250 (CHEMBL4483703) Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)C3CNc4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 Show InChI InChI=1S/C28H28Cl2FN5O2/c1-16-14-17(8-11-20(16)31)27-26(33-22-6-5-7-23(38-4)36(22)27)28(37)35(13-12-34(2)3)21-15-32-25-18(21)9-10-19(29)24(25)30/h5-11,14,21,32H,12-13,15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...				Bioorg Med Chem Lett 26: 4296-300 (2016) Article DOI: 10.1016/j.bmcl.2016.07.038 BindingDB Entry DOI: 10.7270/Q28P642T
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306350 (US10144742, Compound I-512) Show SMILES COc1cc(F)cc(c1)-c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C28H23F2N5O2/c1-37-22-14-19(13-21(30)16-22)27-26(17-4-7-20(29)8-5-17)34-23-9-6-18(15-24(23)35-27)28(36)33-10-2-3-25-31-11-12-32-25/h4-9,11-16H,2-3,10H2,1H3,(H,31,32)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306351 (US10144742, Compound I-513) Show SMILES CN1CCC(COc2nc3ccc(cc3nc2-c2ccc(F)cc2)C(=O)NCCCc2ncc[nH]2)C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306352 (US10144742, Compound I-514) Show SMILES Fc1ccc(cc1)-c1nc2cc(ccc2nc1OC1CCNCC1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C26H27FN6O2/c27-19-6-3-17(4-7-19)24-26(35-20-9-12-28-13-10-20)33-21-8-5-18(16-22(21)32-24)25(34)31-11-1-2-23-29-14-15-30-23/h3-8,14-16,20,28H,1-2,9-13H2,(H,29,30)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306354 (US10144742, Compound I-516) Show SMILES COc1cc(c(F)cn1)-c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(=O)NCc1nc2cnccc2[nH]1 Show InChI InChI=1S/C28H19F2N7O2/c1-39-25-11-18(19(30)12-32-25)27-26(15-2-5-17(29)6-3-15)36-20-7-4-16(10-22(20)37-27)28(38)33-14-24-34-21-8-9-31-13-23(21)35-24/h2-13H,14H2,1H3,(H,33,38)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306357 (US10144742, Compound I-519) Show SMILES COc1cc(c(F)cn1)-c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(=O)NCCCc1nccn1C Show InChI InChI=1S/C28H24F2N6O2/c1-36-13-12-31-24(36)4-3-11-32-28(37)18-7-10-22-23(14-18)35-27(20-15-25(38-2)33-16-21(20)30)26(34-22)17-5-8-19(29)9-6-17/h5-10,12-16H,3-4,11H2,1-2H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306358 (US10144742, Compound I-520) Show SMILES Fc1ccc(cc1)-c1nc2ccc(cc2nc1-c1cc(Cl)ccc1F)C(=O)NCCCc1nnc[nH]1 Show InChI InChI=1S/C26H19ClF2N6O/c27-17-6-9-20(29)19(13-17)25-24(15-3-7-18(28)8-4-15)33-21-10-5-16(12-22(21)34-25)26(36)30-11-1-2-23-31-14-32-35-23/h3-10,12-14H,1-2,11H2,(H,30,36)(H,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM305985 (US10144742, Compound I-147) Show SMILES Fc1ccc(cc1)-c1nc2cc(ccc2nc1N1CCOCC1)C(=O)NCc1ccc2nccn2c1 Show InChI InChI=1S/C27H23FN6O2/c28-21-5-2-19(3-6-21)25-26(33-11-13-36-14-12-33)32-22-7-4-20(15-23(22)31-25)27(35)30-16-18-1-8-24-29-9-10-34(24)17-18/h1-10,15,17H,11-14,16H2,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306021 (US10144742, Compound I-183) Show SMILES COc1cccc(c1)-c1nc2cc(ccc2nc1N1CCCCC1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C27H30N6O2/c1-35-21-8-5-7-19(17-21)25-26(33-15-3-2-4-16-33)32-22-11-10-20(18-23(22)31-25)27(34)30-12-6-9-24-28-13-14-29-24/h5,7-8,10-11,13-14,17-18H,2-4,6,9,12,15-16H2,1H3,(H,28,29)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306093 (US10144742, Compound I-255) Show SMILES Clc1ccc(cc1)-c1nc2cc(ccc2nc1N1CCC(CC1)N1CCOCC1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C30H34ClN7O2/c31-23-6-3-21(4-7-23)28-29(38-14-9-24(10-15-38)37-16-18-40-19-17-37)36-25-8-5-22(20-26(25)35-28)30(39)34-11-1-2-27-32-12-13-33-27/h3-8,12-13,20,24H,1-2,9-11,14-19H2,(H,32,33)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306113 (US10144742, Compound I-275) Show SMILES O=C(NCCCn1ccnc1)c1ccc2nc(N3CCC4(CC3)OCCO4)c(nc2c1)-c1ccccc1 Show InChI InChI=1S/C28H30N6O3/c35-27(30-11-4-13-33-16-12-29-20-33)22-7-8-23-24(19-22)31-25(21-5-2-1-3-6-21)26(32-23)34-14-9-28(10-15-34)36-17-18-37-28/h1-3,5-8,12,16,19-20H,4,9-11,13-15,17-18H2,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306207 (US10144742, Compound I-369) Show SMILES Fc1ccc(cc1)-c1nc2ccc(cc2nc1-c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C28H20ClF4N5O/c29-21-9-5-17(14-20(21)28(31,32)33)26-25(16-3-7-19(30)8-4-16)37-22-10-6-18(15-23(22)38-26)27(39)36-11-1-2-24-34-12-13-35-24/h3-10,12-15H,1-2,11H2,(H,34,35)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306234 (US10144742, Compound I-396) Show SMILES Fc1ccc(cc1)-c1nc2cc(ccc2nc1OCc1ccccn1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C27H23FN6O2/c28-20-9-6-18(7-10-20)25-27(36-17-21-4-1-2-12-29-21)34-22-11-8-19(16-23(22)33-25)26(35)32-13-3-5-24-30-14-15-31-24/h1-2,4,6-12,14-16H,3,5,13,17H2,(H,30,31)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306235 (US10144742, Compound I-397) Show SMILES Fc1ccc(cc1)-c1nc2ccc(cc2nc1-c1ccc(Cl)c(Cl)c1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C27H20Cl2FN5O/c28-20-9-5-17(14-21(20)29)26-25(16-3-7-19(30)8-4-16)34-22-10-6-18(15-23(22)35-26)27(36)33-11-1-2-24-31-12-13-32-24/h3-10,12-15H,1-2,11H2,(H,31,32)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306236 (US10144742, Compound I-398) Show SMILES COc1cccc(c1F)-c1nc2cc(ccc2nc1-c1ccc(F)cc1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C28H23F2N5O2/c1-37-23-5-2-4-20(25(23)30)27-26(17-7-10-19(29)11-8-17)34-21-12-9-18(16-22(21)35-27)28(36)33-13-3-6-24-31-14-15-32-24/h2,4-5,7-12,14-16H,3,6,13H2,1H3,(H,31,32)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306237 (US10144742, Compound I-399) Show SMILES Fc1ccc(cc1)-c1nc2ccc(cc2nc1-c1cc(F)ccc1Cl)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C27H20ClF2N5O/c28-21-9-8-19(30)15-20(21)26-25(16-3-6-18(29)7-4-16)34-22-10-5-17(14-23(22)35-26)27(36)33-11-1-2-24-31-12-13-32-24/h3-10,12-15H,1-2,11H2,(H,31,32)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306238 (US10144742, Compound I-400) Show SMILES Fc1ccc(cc1)-c1nc2cc(ccc2nc1OC1CCCC1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C26H26FN5O2/c27-19-10-7-17(8-11-19)24-26(34-20-4-1-2-5-20)32-21-12-9-18(16-22(21)31-24)25(33)30-13-3-6-23-28-14-15-29-23/h7-12,14-16,20H,1-6,13H2,(H,28,29)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306240 (US10144742, Compound I-402) Show SMILES CCOc1nc2ccc(cc2nc1-c1ccc(Cl)cc1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C23H22ClN5O2/c1-2-31-23-21(15-5-8-17(24)9-6-15)28-19-14-16(7-10-18(19)29-23)22(30)27-11-3-4-20-25-12-13-26-20/h5-10,12-14H,2-4,11H2,1H3,(H,25,26)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306242 (US10144742, Compound I-404) Show SMILES Fc1ccc(cc1)-c1nc2cc(ccc2nc1OC1CC2(CCN2)C1)C(=O)NCCCc1ncc[nH]1 |(10.52,5.64,;9.19,4.87,;9.19,3.33,;7.85,2.56,;6.52,3.33,;6.52,4.87,;7.85,5.64,;5.19,2.56,;3.85,3.33,;2.52,2.56,;1.18,3.33,;-.15,2.56,;-.15,1.02,;1.18,.25,;2.52,1.02,;3.85,.25,;5.19,1.02,;6.52,.25,;6.52,-1.29,;5.43,-2.38,;6.52,-3.46,;5.43,-4.55,;6.52,-5.64,;7.61,-4.55,;7.61,-2.38,;-1.48,3.33,;-1.48,4.87,;-2.82,2.56,;-4.15,3.33,;-5.48,2.56,;-6.82,3.33,;-8.15,2.56,;-9.62,3.04,;-10.52,1.79,;-9.62,.55,;-8.15,1.02,)| Show InChI InChI=1S/C27H27FN6O2/c28-19-6-3-17(4-7-19)24-26(36-20-15-27(16-20)9-11-32-27)34-21-8-5-18(14-22(21)33-24)25(35)31-10-1-2-23-29-12-13-30-23/h3-8,12-14,20,32H,1-2,9-11,15-16H2,(H,29,30)(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306244 (US10144742, Compound I-406) Show SMILES Fc1ccc(cc1)-c1nc2cc(ccc2nc1OCC1CCOCC1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C27H28FN5O3/c28-21-6-3-19(4-7-21)25-27(36-17-18-9-14-35-15-10-18)33-22-8-5-20(16-23(22)32-25)26(34)31-11-1-2-24-29-12-13-30-24/h3-8,12-13,16,18H,1-2,9-11,14-15,17H2,(H,29,30)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306245 (US10144742, Compound I-407) Show SMILES Fc1ccc(cc1)-c1nc2cc(ccc2nc1OCC1(CCC1)[N+]#[C-])C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C27H25FN6O2/c1-29-27(11-3-12-27)17-36-26-24(18-5-8-20(28)9-6-18)33-22-16-19(7-10-21(22)34-26)25(35)32-13-2-4-23-30-14-15-31-23/h5-10,14-16H,2-4,11-13,17H2,(H,30,31)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306247 (US10144742, Compound I-409) Show SMILES Fc1ccc(cc1)-c1nc2cc(ccc2nc1OCc1cccnc1)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C27H23FN6O2/c28-21-8-5-19(6-9-21)25-27(36-17-18-3-1-11-29-16-18)34-22-10-7-20(15-23(22)33-25)26(35)32-12-2-4-24-30-13-14-31-24/h1,3,5-11,13-16H,2,4,12,17H2,(H,30,31)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM306252 (US10144742, Compound I-414) Show SMILES CC(C)Oc1nc2ccc(cc2nc1-c1cc(ccc1F)C#N)C(=O)NCCCc1ncc[nH]1 Show InChI InChI=1S/C25H23FN6O2/c1-15(2)34-25-23(18-12-16(14-27)5-7-19(18)26)31-21-13-17(6-8-20(21)32-25)24(33)30-9-3-4-22-28-10-11-29-22/h5-8,10-13,15H,3-4,9H2,1-2H3,(H,28,29)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. US Patent					Assay Description To measure the inhibition of NAMPT activity hNAMPT protein stock and anti 6His-Tb (Cisbio; Cat. No. 61HISTLB) is diluted to 3× final concentration wi...				US Patent US10144742 (2018) BindingDB Entry DOI: 10.7270/Q2NV9M91
					More data for this Ligand-Target Pair

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