Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'bravo' and Initial = 'bj'   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM36516 (4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90	1.5	n/a	n/a	n/a	7.5	23
CGI Pharmaceuticals					Assay Description Biochemical assay using Lanthascreen (human, full-lenght, C-terminal v5-His6 expressed in Sf9 cell) assay from Invitrogen.				Nat Chem Biol 7: 41-50 (2011) Article DOI: 10.1038/nchembio.481 BindingDB Entry DOI: 10.7270/Q2B56H2T
					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	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448625 (CHEMBL3127508) Show SMILES CC(C)(O)Cn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H24N4O4S/c1-22(2,28)14-26-13-18(12-24-26)31(29,30)17-7-5-16(6-8-17)25-21(27)20-10-19(20)15-4-3-9-23-11-15/h3-9,11-13,19-20,28H,10,14H2,1-2H3,(H,25,27)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					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	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50435774 (CHEMBL2393183 | US11279687, Compound 204) Show SMILES Nc1ccc(CNC(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2)cn1 Show InChI InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448623 (CHEMBL3127493) Show SMILES CC(C)n1cc(c(C)n1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H24N4O3S/c1-14(2)26-13-21(15(3)25-26)30(28,29)18-8-6-17(7-9-18)24-22(27)20-11-19(20)16-5-4-10-23-12-16/h4-10,12-14,19-20H,11H2,1-3H3,(H,24,27)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448621 (CHEMBL3127521) Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)[C@H]1C[C@@H]1c1cccnc1 |r| Show InChI InChI=1S/C21H18N2O3S/c24-21(20-13-19(20)15-5-4-12-22-14-15)23-16-8-10-18(11-9-16)27(25,26)17-6-2-1-3-7-17/h1-12,14,19-20H,13H2,(H,23,24)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448617 (CHEMBL3127500) Show SMILES CS(=O)(=O)c1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H20N2O5S2/c1-30(26,27)18-5-2-6-19(12-18)31(28,29)17-9-7-16(8-10-17)24-22(25)21-13-20(21)15-4-3-11-23-14-15/h2-12,14,20-21H,13H2,1H3,(H,24,25)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448632 (CHEMBL3127497) Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C25H31N3O2/c29-24(23-17-22(23)21-10-6-13-26-18-21)27-14-5-4-7-19-11-15-28(16-12-19)25(30)20-8-2-1-3-9-20/h1-3,6,8-10,13,18-19,22-23H,4-5,7,11-12,14-17H2,(H,27,29)/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448612 (CHEMBL3127510) Show SMILES CC(C)n1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-14(2)25-13-18(12-23-25)29(27,28)17-7-5-16(6-8-17)24-21(26)20-10-19(20)15-4-3-9-22-11-15/h3-9,11-14,19-20H,10H2,1-2H3,(H,24,26)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448614 (CHEMBL3127507) Show SMILES CCCn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-2-10-25-14-18(13-23-25)29(27,28)17-7-5-16(6-8-17)24-21(26)20-11-19(20)15-4-3-9-22-12-15/h3-9,12-14,19-20H,2,10-11H2,1H3,(H,24,26)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448611 (CHEMBL3127494) Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1cnn(c1)C1CCOCC1)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C23H24N4O4S/c28-23(22-12-21(22)16-2-1-9-24-13-16)26-17-3-5-19(6-4-17)32(29,30)20-14-25-27(15-20)18-7-10-31-11-8-18/h1-6,9,13-15,18,21-22H,7-8,10-12H2,(H,26,28)/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448615 (CHEMBL3127506) Show SMILES CCCn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-2-10-25-14-18(13-23-25)29(27,28)17-7-5-16(6-8-17)24-21(26)20-11-19(20)15-4-3-9-22-12-15/h3-9,12-14,19-20H,2,10-11H2,1H3,(H,24,26)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448631 (CHEMBL3127498) Show SMILES Clc1ccc(OCCCCCCNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H25ClN2O2/c22-17-7-9-18(10-8-17)26-13-4-2-1-3-12-24-21(25)20-14-19(20)16-6-5-11-23-15-16/h5-11,15,19-20H,1-4,12-14H2,(H,24,25)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058687 (CHEMBL3326742) Show SMILES N(c1ccncc1)c1ncnn2cc(cc12)-c1ccccc1 Show InChI InChI=1S/C17H13N5/c1-2-4-13(5-3-1)14-10-16-17(19-12-20-22(16)11-14)21-15-6-8-18-9-7-15/h1-12H,(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448619 (CHEMBL3127525) Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C21H23N3O4S/c25-21(20-10-19(20)14-2-1-9-22-11-14)23-15-3-7-18(8-4-15)29(26,27)24-12-16-5-6-17(13-24)28-16/h1-4,7-9,11,16-17,19-20H,5-6,10,12-13H2,(H,23,25)/t16?,17?,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448627 (CHEMBL3127504) Show SMILES CCn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C20H20N4O3S/c1-2-24-13-17(12-22-24)28(26,27)16-7-5-15(6-8-16)23-20(25)19-10-18(19)14-4-3-9-21-11-14/h3-9,11-13,18-19H,2,10H2,1H3,(H,23,25)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448616 (CHEMBL3127501) Show SMILES FC(F)(F)Oc1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H17F3N2O4S/c23-22(24,25)31-16-4-1-5-18(11-16)32(29,30)17-8-6-15(7-9-17)27-21(28)20-12-19(20)14-3-2-10-26-13-14/h1-11,13,19-20H,12H2,(H,27,28)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448626 (CHEMBL3127505) Show SMILES FC(F)(F)Cn1cc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C20H17F3N4O3S/c21-20(22,23)12-27-11-16(10-25-27)31(29,30)15-5-3-14(4-6-15)26-19(28)18-8-17(18)13-2-1-7-24-9-13/h1-7,9-11,17-18H,8,12H2,(H,26,28)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058678 (CHEMBL3326751) Show SMILES O=C(c1cn[nH]c1)c1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C15H11N7O/c23-14(11-6-18-19-7-11)10-5-13-15(17-9-20-22(13)8-10)21-12-1-3-16-4-2-12/h1-9H,(H,18,19)(H,16,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058680 (CHEMBL3326749) Show SMILES O=C(c1ccoc1)c1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C16H11N5O2/c22-15(11-3-6-23-9-11)12-7-14-16(18-10-19-21(14)8-12)20-13-1-4-17-5-2-13/h1-10H,(H,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448629 (CHEMBL3127502) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H17F3N2O3S/c23-22(24,25)15-4-1-5-18(11-15)31(29,30)17-8-6-16(7-9-17)27-21(28)20-12-19(20)14-3-2-10-26-13-14/h1-11,13,19-20H,12H2,(H,27,28)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448624 (CHEMBL3127511) Show SMILES CC(C)n1ncc(c1C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C22H24N4O3S/c1-14(2)26-15(3)21(13-24-26)30(28,29)18-8-6-17(7-9-18)25-22(27)20-11-19(20)16-5-4-10-23-12-16/h4-10,12-14,19-20H,11H2,1-3H3,(H,25,27)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448630 (CHEMBL3127499) Show SMILES Cc1ccc(cn1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c1-14-4-7-18(13-23-14)28(26,27)17-8-5-16(6-9-17)24-21(25)20-11-19(20)15-3-2-10-22-12-15/h2-10,12-13,19-20H,11H2,1H3,(H,24,25)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448628 (CHEMBL3127503) Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1 |r| Show InChI InChI=1S/C21H16F2N2O3S/c22-14-8-15(23)10-18(9-14)29(27,28)17-5-3-16(4-6-17)25-21(26)20-11-19(20)13-2-1-7-24-12-13/h1-10,12,19-20H,11H2,(H,25,26)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Sonic hedgehog protein (Homo sapiens (Human))	BDBM50249522 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...) Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human SHH pathway in mouse S12 cells assessed as GLI-mediated transcriptional activity after 48 hrs by luciferase reporter gene assay				J Med Chem 54: 2592-601 (2011) Article DOI: 10.1021/jm1008924 BindingDB Entry DOI: 10.7270/Q2NS0V6G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011536 (CHEMBL3262587 | US9592235, Example 184 | US9855269...) Show SMILES Nc1ncnc2ccc(nc12)-c1cccc(F)c1 Show InChI InChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448638 (CHEMBL3127524) Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C19H21N3O4S/c23-19(18-12-17(18)14-2-1-7-20-13-14)21-15-3-5-16(6-4-15)27(24,25)22-8-10-26-11-9-22/h1-7,13,17-18H,8-12H2,(H,21,23)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448644 (CHEMBL3127513 | US10696692, Example 149) Show SMILES O=C(NCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1COC1)c1cc2ccncc2o1 Show InChI InChI=1S/C22H24N4O5S/c27-22(20-11-17-5-6-23-13-21(17)31-20)24-12-16-1-3-19(4-2-16)32(28,29)26-9-7-25(8-10-26)18-14-30-15-18/h1-6,11,13,18H,7-10,12,14-15H2,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448618 (CHEMBL3127526) Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)C1CCOCC1)[C@@H]1C[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C20H22N2O4S/c23-20(19-12-18(19)14-2-1-9-21-13-14)22-15-3-5-16(6-4-15)27(24,25)17-7-10-26-11-8-17/h1-6,9,13,17-19H,7-8,10-12H2,(H,22,23)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448620 (CHEMBL3127522) Show SMILES Nc1ccc(cn1)[C@@H]1C[C@H]1C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H19N3O3S/c22-20-11-6-14(13-23-20)18-12-19(18)21(25)24-15-7-9-17(10-8-15)28(26,27)16-4-2-1-3-5-16/h1-11,13,18-19H,12H2,(H2,22,23)(H,24,25)/t18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011561 (CHEMBL3262580 | US9592235, Example 174 | US9855269...) Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(F)c1 Show InChI InChI=1S/C14H10FN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011560 (CHEMBL3262579 | US9592235, Example 187 | US9855269...) Show SMILES Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1 Show InChI InChI=1S/C14H11FN4/c15-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448642 (CHEMBL3127515) Show SMILES O=S(=O)(N1CCC(CC1)N1CCCC1)c1ccc(CNC2=Nc3ccncc3S(=O)(=O)N2)cc1 |t:22| Show InChI InChI=1S/C22H28N6O4S2/c29-33(30)21-16-23-10-7-20(21)25-22(26-33)24-15-17-3-5-19(6-4-17)34(31,32)28-13-8-18(9-14-28)27-11-1-2-12-27/h3-7,10,16,18H,1-2,8-9,11-15H2,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50448643 (CHEMBL3127514) Show SMILES O=S(=O)(c1ccccc1)c1ccc(CNC2=Nc3ccncc3S(=O)(=O)N2)cc1 |t:16| Show InChI InChI=1S/C19H16N4O4S2/c24-28(25,15-4-2-1-3-5-15)16-8-6-14(7-9-16)12-21-19-22-17-10-11-20-13-18(17)29(26,27)23-19/h1-11,13H,12H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human full-length NAMPT expressed in Escherichia coli Rosetta DE3 using nicotinamide as substrate preincubated fo...				J Med Chem 57: 770-92 (2014) Article DOI: 10.1021/jm4015108 BindingDB Entry DOI: 10.7270/Q2BC412B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058689 (CHEMBL3326740) Show SMILES CCOC(=O)c1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C14H13N5O2/c1-2-21-14(20)10-7-12-13(16-9-17-19(12)8-10)18-11-3-5-15-6-4-11/h3-9H,2H2,1H3,(H,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058679 (CHEMBL3326750) Show SMILES O=C(c1cc2c(Nc3ccncc3)ncnn2c1)c1nnn[nH]1 Show InChI InChI=1S/C13H9N9O/c23-11(13-18-20-21-19-13)8-5-10-12(15-7-16-22(10)6-8)17-9-1-3-14-4-2-9/h1-7H,(H,14,15,16,17)(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011564 (CHEMBL3262583 | MAP10 | US9592235, Example 158 | U...) Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011551 (CHEMBL3262570 | US9592235, Example 268 | US9855269...) Show SMILES Nc1ncnc2ccc(cc12)-c1ccccc1 Show InChI InChI=1S/C14H11N3/c15-14-12-8-11(10-4-2-1-3-5-10)6-7-13(12)16-9-17-14/h1-9H,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058682 (CHEMBL3326747) Show SMILES O=C(N1CCC1)c1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C15H14N6O/c22-15(20-6-1-7-20)11-8-13-14(17-10-18-21(13)9-11)19-12-2-4-16-5-3-12/h2-5,8-10H,1,6-7H2,(H,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011568 (CHEMBL3262584 | US9592235, Example 186 | US9855269...) Show SMILES Nc1ncnc2ccc(cc12)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C14H9F2N3/c15-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)14(17)19-7-18-13/h1-7H,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058524 (CHEMBL3326739) Show SMILES Brc1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C11H8BrN5/c12-8-5-10-11(14-7-15-17(10)6-8)16-9-1-3-13-4-2-9/h1-7H,(H,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058686 (CHEMBL3326743) Show SMILES OCc1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C12H11N5O/c18-7-9-5-11-12(14-8-15-17(11)6-9)16-10-1-3-13-4-2-10/h1-6,8,18H,7H2,(H,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058681 (CHEMBL3326748) Show SMILES O=C(N1CCOCC1)c1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C16H16N6O2/c23-16(21-5-7-24-8-6-21)12-9-14-15(18-11-19-22(14)10-12)20-13-1-3-17-4-2-13/h1-4,9-11H,5-8H2,(H,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011550 (CHEMBL3262569) Show SMILES Nc1cccc(c1)-c1ccc2ncnc(N)c2c1 Show InChI InChI=1S/C14H12N4/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,15H2,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011556 (CHEMBL3262575 | US9592235, Example 164 | US9855269...) Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(c1)C#N Show InChI InChI=1S/C15H10N4/c16-8-10-2-1-3-11(6-10)12-4-5-14-13(7-12)15(17)19-9-18-14/h1-7,9H,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011562 (CHEMBL3262581 | US9592235, Example 163 | US9855269...) Show SMILES Nc1ncnc2ccc(cc12)-c1ccccc1F Show InChI InChI=1S/C14H10FN3/c15-12-4-2-1-3-10(12)9-5-6-13-11(7-9)14(16)18-8-17-13/h1-8H,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	297	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50058684 (CHEMBL3326745) Show SMILES NC(=O)c1cc2c(Nc3ccncc3)ncnn2c1 Show InChI InChI=1S/C12H10N6O/c13-11(19)8-5-10-12(15-7-16-18(10)6-8)17-9-1-3-14-4-2-9/h1-7H,(H2,13,19)(H,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay				Bioorg Med Chem Lett 24: 4546-52 (2014) Article DOI: 10.1016/j.bmcl.2014.07.071 BindingDB Entry DOI: 10.7270/Q2NG4S9D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011553 (CHEMBL3262572 | US9592235, Example 167 | US9855269...) Show SMILES COc1cccc(c1)-c1ccc2ncnc(N)c2c1 Show InChI InChI=1S/C15H13N3O/c1-19-12-4-2-3-10(7-12)11-5-6-14-13(8-11)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50011559 (CHEMBL3262578 | US9592235, Example 269 | US9855269...) Show SMILES Nc1ccc(F)c(c1)-c1ccc2ncnc(N)c2c1 Show InChI InChI=1S/C14H11FN4/c15-12-3-2-9(16)6-10(12)8-1-4-13-11(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay				J Med Chem 57: 3484-93 (2014) Article DOI: 10.1021/jm500155b BindingDB Entry DOI: 10.7270/Q2M046ZR
					More data for this Ligand-Target Pair

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