Compile Data Set for Download or QSAR

Found 649 hits with Last Name = 'loke' and Initial = 'p'   

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
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158531 (US9034866, 6) Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O |r| Show InChI InChI=1S/C20H17FN4O4/c1-11-7-17(24-29-11)20(2,27)4-3-12-8-13-16(9-14(12)21)28-6-5-25-10-15(18(22)26)23-19(13)25/h7-10,27H,5-6H2,1-2H3,(H2,22,26)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158654 (US9034866, 129) Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(3.31,5.03,;4.08,3.69,;3.61,2.23,;4.85,1.32,;6.1,2.23,;5.62,3.69,;4.85,-.22,;6.19,.55,;6.19,-.99,;3.52,-.99,;2.18,-1.76,;.85,-2.53,;-.48,-1.76,;-1.82,-2.53,;-3.02,-1.57,;-2.88,-.03,;-4.3,.57,;-5.31,-.59,;-4.52,-1.91,;-5.19,-3.3,;-4.52,-4.68,;-3.02,-5.03,;-3.58,-3.53,;-1.82,-4.07,;-.48,-4.84,;.85,-4.07,;2.18,-4.84,;-4.7,2.06,;-6.19,2.46,;-3.61,3.15,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-5-19(26-30-11)22(2,29)4-3-12-8-16-15(9-17(12)23)13-6-14(7-13)27-10-18(20(24)28)25-21(16)27/h5,8-10,13-14,29H,6-7H2,1-2H3,(H2,24,28)/t13?,14?,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158621 (US9034866, 96) Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r| Show InChI InChI=1S/C22H21N5O5/c1-12-10-16(26-32-12)22(2,30)7-6-13-4-5-15-14(11-13)20-25-17(19(23)28)18(21(29)24-3)27(20)8-9-31-15/h4-5,10-11,30H,8-9H2,1-3H3,(H2,23,28)(H,24,29)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158788 (US9034866, 263) Show SMILES CN1CC[C@@](O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O |r| Show InChI InChI=1S/C19H17FN4O4/c1-23-5-4-19(27,18(23)26)3-2-11-8-12-15(9-13(11)20)28-7-6-24-10-14(16(21)25)22-17(12)24/h8-10,27H,4-7H2,1H3,(H2,21,25)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158669 (US9034866, 144) Show SMILES CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1nccs1 Show InChI InChI=1S/C19H15FN4O3S/c1-19(26,18-22-4-7-28-18)3-2-11-8-12-15(9-13(11)20)27-6-5-24-10-14(16(21)25)23-17(12)24/h4,7-10,26H,5-6H2,1H3,(H2,21,25)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158566 (US9034866, 41) Show SMILES CNC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O Show InChI InChI=1S/C19H19FN4O4/c1-19(2,27)5-4-10-8-11-13(9-12(10)20)28-7-6-24-15(18(26)22-3)14(16(21)25)23-17(11)24/h8-9,27H,6-7H2,1-3H3,(H2,21,25)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50266976 (CHEMBL4065087) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |(21.05,-18.64,;21.82,-19.96,;22.58,-18.63,;23.14,-20.72,;20.49,-20.74,;19.14,-21.51,;17.81,-22.28,;16.48,-21.51,;15.14,-22.28,;13.93,-21.32,;14.07,-19.79,;12.65,-19.17,;11.65,-20.33,;12.42,-21.67,;11.76,-23.06,;12.43,-24.44,;13.93,-24.79,;13.28,-23.05,;15.14,-23.82,;16.48,-24.59,;17.81,-23.82,;19.13,-24.59,;12.33,-17.7,;10.82,-17.27,;13.42,-16.6,)| Show InChI InChI=1S/C19H18FN3O2/c1-19(2,25)4-3-10-7-14-13(8-15(10)20)11-5-12(6-11)23-9-16(17(21)24)22-18(14)23/h7-9,11-12,25H,5-6H2,1-2H3,(H2,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158666 (US9034866, 141) Show SMILES CN1CCCC(O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O Show InChI InChI=1S/C20H19FN4O4/c1-24-6-2-4-20(28,19(24)27)5-3-12-9-13-16(10-14(12)21)29-8-7-25-11-15(17(22)26)23-18(13)25/h9-11,28H,2,4,6-8H2,1H3,(H2,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158658 (US9034866, 133) Show SMILES CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)c1cccnn1 Show InChI InChI=1S/C20H16FN5O3/c1-20(28,17-3-2-6-23-25-17)5-4-12-9-13-16(10-14(12)21)29-8-7-26-11-15(18(22)27)24-19(13)26/h2-3,6,9-11,28H,7-8H2,1H3,(H2,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158570 (US9034866, 45) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4cn[nH]c4)n3CCOc2cc1F Show InChI InChI=1S/C20H18FN5O3/c1-20(2,28)4-3-11-7-13-15(8-14(11)21)29-6-5-26-17(12-9-23-24-10-12)16(18(22)27)25-19(13)26/h7-10,28H,5-6H2,1-2H3,(H2,22,27)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158550 (US9034866, 25) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(Cc4ccccc4F)n3CCOc2cc1F Show InChI InChI=1S/C24H21F2N3O3/c1-24(2,31)8-7-15-11-16-20(13-18(15)26)32-10-9-29-19(21(22(27)30)28-23(16)29)12-14-5-3-4-6-17(14)25/h3-6,11,13,31H,9-10,12H2,1-2H3,(H2,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158600 (US9034866, 75) Show SMILES CC(O)(CF)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O Show InChI InChI=1S/C17H15F2N3O3/c1-17(24,9-18)3-2-10-6-11-14(7-12(10)19)25-5-4-22-8-13(15(20)23)21-16(11)22/h6-8,24H,4-5,9H2,1H3,(H2,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158795 (US9034866, 270) Show SMILES Cn1nccc1Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O Show InChI InChI=1S/C22H22FN5O3/c1-22(2,30)6-4-13-10-15-18(12-16(13)23)31-9-8-28-17(11-14-5-7-25-27(14)3)19(20(24)29)26-21(15)28/h5,7,10,12,30H,8-9,11H2,1-3H3,(H2,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158542 (US9034866, 17) Show SMILES NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)CCC1 Show InChI InChI=1S/C18H16FN3O3/c19-13-9-15-12(8-11(13)2-5-18(24)3-1-4-18)17-21-14(16(20)23)10-22(17)6-7-25-15/h8-10,24H,1,3-4,6-7H2,(H2,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158704 (US9034866, 179) Show SMILES CC(C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |(6.19,-.05,;4.85,.72,;6.19,1.49,;4.85,2.26,;3.52,-.05,;2.18,-.82,;.85,-1.59,;.85,-3.13,;-.48,-3.9,;-1.82,-3.13,;-3.02,-4.09,;-4.52,-3.75,;-5.19,-2.36,;-3.58,-2.59,;-4.52,-.97,;-5.31,.35,;-4.3,1.51,;-2.88,.91,;-3.02,-.63,;-1.82,-1.59,;-.48,-.82,;-4.7,3,;-3.61,4.09,;-6.19,3.4,)| Show InChI InChI=1S/C19H19N3O2/c1-19(2,24)6-5-11-3-4-14-12-8-13(9-12)22-10-16(17(20)23)21-18(22)15(14)7-11/h3-4,7,10,12-13,24H,8-9H2,1-2H3,(H2,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158528 (US9034866, 3) Show SMILES CC(C)(O)C#Cc1ccc2OCCc3sc(nc3-c2c1)C(N)=O Show InChI InChI=1S/C17H16N2O3S/c1-17(2,21)7-5-10-3-4-12-11(9-10)14-13(6-8-22-12)23-16(19-14)15(18)20/h3-4,9,21H,6,8H2,1-2H3,(H2,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158559 (US9034866, 34) Show SMILES Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O Show InChI InChI=1S/C18H18FN3O3/c1-10-15(16(20)23)21-17-12-8-11(4-5-18(2,3)24)13(19)9-14(12)25-7-6-22(10)17/h8-9,24H,6-7H2,1-3H3,(H2,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158530 (US9034866, 5) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O Show InChI InChI=1S/C17H16FN3O3/c1-17(2,23)4-3-10-7-11-14(8-12(10)18)24-6-5-21-9-13(15(19)22)20-16(11)21/h7-9,23H,5-6H2,1-2H3,(H2,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158552 (US9034866, 27) Show SMILES CC(C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O Show InChI InChI=1S/C17H14F2N2O3S/c1-16(2,23)6-5-9-3-4-11-10(7-9)12-13(17(18,19)8-24-11)25-15(21-12)14(20)22/h3-4,7,23H,8H2,1-2H3,(H2,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158561 (US9034866, 36) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3CCOc2cc1F Show InChI InChI=1S/C20H20FN3O3/c1-20(2,26)6-5-12-9-13-15(10-14(12)21)27-8-7-24-17(11-3-4-11)16(18(22)25)23-19(13)24/h9-11,26H,3-4,7-8H2,1-2H3,(H2,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158531 (US9034866, 6) Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O |r| Show InChI InChI=1S/C20H17FN4O4/c1-11-7-17(24-29-11)20(2,27)4-3-12-8-13-16(9-14(12)21)28-6-5-25-10-15(18(22)26)23-19(13)25/h7-10,27H,5-6H2,1-2H3,(H2,22,26)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158537 (US9034866, 12) Show SMILES CC(C)(O)C#Cc1ccc2OCC(O)c3sc(nc3-c2c1)C(N)=O Show InChI InChI=1S/C17H16N2O4S/c1-17(2,22)6-5-9-3-4-12-10(7-9)13-14(11(20)8-23-12)24-16(19-13)15(18)21/h3-4,7,11,20,22H,8H2,1-2H3,(H2,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158558 (US9034866, 33) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C#N)n3CCOc2cc1F Show InChI InChI=1S/C18H15FN4O3/c1-18(2,25)4-3-10-7-11-14(8-12(10)19)26-6-5-23-13(9-20)15(16(21)24)22-17(11)23/h7-8,25H,5-6H2,1-2H3,(H2,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158528 (US9034866, 3) Show SMILES CC(C)(O)C#Cc1ccc2OCCc3sc(nc3-c2c1)C(N)=O Show InChI InChI=1S/C17H16N2O3S/c1-17(2,21)7-5-10-3-4-12-11(9-10)14-13(6-8-22-12)23-16(19-14)15(18)20/h3-4,9,21H,6,8H2,1-2H3,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	216	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158527 (US9034866, 2) Show SMILES CC(C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O Show InChI InChI=1S/C17H17N3O3/c1-17(2,22)6-5-11-3-4-14-12(9-11)16-19-13(15(18)21)10-20(16)7-8-23-14/h3-4,9-10,22H,7-8H2,1-2H3,(H2,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158527 (US9034866, 2) Show SMILES CC(C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O Show InChI InChI=1S/C17H17N3O3/c1-17(2,22)6-5-11-3-4-14-12(9-11)16-19-13(15(18)21)10-20(16)7-8-23-14/h3-4,9-10,22H,7-8H2,1-2H3,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158789 (US9034866, 264) Show SMILES CN1CC[C@](O)(C#Cc2cc3-c4nc(cn4CCOc3cc2F)C(N)=O)C1=O |r| Show InChI InChI=1S/C19H17FN4O4/c1-23-5-4-19(27,18(23)26)3-2-11-8-12-15(9-13(11)20)28-7-6-24-10-14(16(21)25)22-17(12)24/h8-10,27H,4-7H2,1H3,(H2,21,25)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158769 (US9034866, 244) Show SMILES C[C@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O |r| Show InChI InChI=1S/C18H19N3O3/c1-11-9-21-10-14(16(19)22)20-17(21)13-8-12(4-5-15(13)24-11)6-7-18(2,3)23/h4-5,8,10-11,23H,9H2,1-3H3,(H2,19,22)/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	547	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158576 (US9034866, 51) Show SMILES CN(C)C(=O)C(C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O Show InChI InChI=1S/C19H19FN4O4/c1-19(27,18(26)23(2)3)5-4-11-8-12-15(9-13(11)20)28-7-6-24-10-14(16(21)25)22-17(12)24/h8-10,27H,6-7H2,1-3H3,(H2,21,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	986	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158654 (US9034866, 129) Show SMILES Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(3.31,5.03,;4.08,3.69,;3.61,2.23,;4.85,1.32,;6.1,2.23,;5.62,3.69,;4.85,-.22,;6.19,.55,;6.19,-.99,;3.52,-.99,;2.18,-1.76,;.85,-2.53,;-.48,-1.76,;-1.82,-2.53,;-3.02,-1.57,;-2.88,-.03,;-4.3,.57,;-5.31,-.59,;-4.52,-1.91,;-5.19,-3.3,;-4.52,-4.68,;-3.02,-5.03,;-3.58,-3.53,;-1.82,-4.07,;-.48,-4.84,;.85,-4.07,;2.18,-4.84,;-4.7,2.06,;-6.19,2.46,;-3.61,3.15,)| Show InChI InChI=1S/C22H19FN4O3/c1-11-5-19(26-30-11)22(2,29)4-3-12-8-16-15(9-17(12)23)13-6-14(7-13)27-10-18(20(24)28)25-21(16)27/h5,8-10,13-14,29H,6-7H2,1-2H3,(H2,24,28)/t13?,14?,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50266976 (CHEMBL4065087) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |(21.05,-18.64,;21.82,-19.96,;22.58,-18.63,;23.14,-20.72,;20.49,-20.74,;19.14,-21.51,;17.81,-22.28,;16.48,-21.51,;15.14,-22.28,;13.93,-21.32,;14.07,-19.79,;12.65,-19.17,;11.65,-20.33,;12.42,-21.67,;11.76,-23.06,;12.43,-24.44,;13.93,-24.79,;13.28,-23.05,;15.14,-23.82,;16.48,-24.59,;17.81,-23.82,;19.13,-24.59,;12.33,-17.7,;10.82,-17.27,;13.42,-16.6,)| Show InChI InChI=1S/C19H18FN3O2/c1-19(2,25)4-3-10-7-14-13(8-15(10)20)11-5-12(6-11)23-9-16(17(21)24)22-18(14)23/h7-9,11-12,25H,5-6H2,1-2H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158552 (US9034866, 27) Show SMILES CC(C)(O)C#Cc1ccc2OCC(F)(F)c3sc(nc3-c2c1)C(N)=O Show InChI InChI=1S/C17H14F2N2O3S/c1-16(2,23)6-5-9-3-4-11-10(7-9)12-13(17(18,19)8-24-11)25-15(21-12)14(20)22/h3-4,7,23H,8H2,1-2H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158770 (US9034866, 245) Show SMILES C[C@@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O |r| Show InChI InChI=1S/C18H19N3O3/c1-11-9-21-10-14(16(19)22)20-17(21)13-8-12(4-5-15(13)24-11)6-7-18(2,3)23/h4-5,8,10-11,23H,9H2,1-3H3,(H2,19,22)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158769 (US9034866, 244) Show SMILES C[C@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O |r| Show InChI InChI=1S/C18H19N3O3/c1-11-9-21-10-14(16(19)22)20-17(21)13-8-12(4-5-15(13)24-11)6-7-18(2,3)23/h4-5,8,10-11,23H,9H2,1-3H3,(H2,19,22)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158795 (US9034866, 270) Show SMILES Cn1nccc1Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O Show InChI InChI=1S/C22H22FN5O3/c1-22(2,30)6-4-13-10-15-18(12-16(13)23)31-9-8-28-17(11-14-5-7-25-27(14)3)19(20(24)29)26-21(15)28/h5,7,10,12,30H,8-9,11H2,1-3H3,(H2,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158566 (US9034866, 41) Show SMILES CNC(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O Show InChI InChI=1S/C19H19FN4O4/c1-19(2,27)5-4-10-8-11-13(9-12(10)20)28-7-6-24-15(18(26)22-3)14(16(21)25)23-17(11)24/h8-9,27H,6-7H2,1-3H3,(H2,21,25)(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158561 (US9034866, 36) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3CCOc2cc1F Show InChI InChI=1S/C20H20FN3O3/c1-20(2,26)6-5-12-9-13-15(10-14(12)21)27-8-7-24-17(11-3-4-11)16(18(22)25)23-19(13)24/h9-11,26H,3-4,7-8H2,1-2H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158558 (US9034866, 33) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C#N)n3CCOc2cc1F Show InChI InChI=1S/C18H15FN4O3/c1-18(2,25)4-3-10-7-11-14(8-12(10)19)26-6-5-23-13(9-20)15(16(21)24)22-17(11)23/h7-8,25H,5-6H2,1-2H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158559 (US9034866, 34) Show SMILES Cc1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O Show InChI InChI=1S/C18H18FN3O3/c1-10-15(16(20)23)21-17-12-8-11(4-5-18(2,3)24)13(19)9-14(12)25-7-6-22(10)17/h8-9,24H,6-7H2,1-3H3,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158550 (US9034866, 25) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(Cc4ccccc4F)n3CCOc2cc1F Show InChI InChI=1S/C24H21F2N3O3/c1-24(2,31)8-7-15-11-16-20(13-18(15)26)32-10-9-29-19(21(22(27)30)28-23(16)29)12-14-5-3-4-6-17(14)25/h3-6,11,13,31H,9-10,12H2,1-2H3,(H2,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158570 (US9034866, 45) Show SMILES CC(C)(O)C#Cc1cc2-c3nc(C(N)=O)c(-c4cn[nH]c4)n3CCOc2cc1F Show InChI InChI=1S/C20H18FN5O3/c1-20(2,28)4-3-11-7-13-15(8-14(11)21)29-6-5-26-17(12-9-23-24-10-12)16(18(22)27)25-19(13)26/h7-10,28H,5-6H2,1-2H3,(H2,22,27)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158575 (US9034866, 50) Show SMILES CN(C)C(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O Show InChI InChI=1S/C20H21FN4O4/c1-20(2,28)6-5-11-9-12-14(10-13(11)21)29-8-7-25-16(19(27)24(3)4)15(17(22)26)23-18(12)25/h9-10,28H,7-8H2,1-4H3,(H2,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158704 (US9034866, 179) Show SMILES CC(C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |(6.19,-.05,;4.85,.72,;6.19,1.49,;4.85,2.26,;3.52,-.05,;2.18,-.82,;.85,-1.59,;.85,-3.13,;-.48,-3.9,;-1.82,-3.13,;-3.02,-4.09,;-4.52,-3.75,;-5.19,-2.36,;-3.58,-2.59,;-4.52,-.97,;-5.31,.35,;-4.3,1.51,;-2.88,.91,;-3.02,-.63,;-1.82,-1.59,;-.48,-.82,;-4.7,3,;-3.61,4.09,;-6.19,3.4,)| Show InChI InChI=1S/C19H19N3O2/c1-19(2,24)6-5-11-3-4-14-12-8-13(9-12)22-10-16(17(20)23)21-18(22)15(14)7-11/h3-4,7,10,12-13,24H,8-9H2,1-2H3,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158621 (US9034866, 96) Show SMILES CNC(=O)c1c(nc2-c3cc(ccc3OCCn12)C#C[C@@](C)(O)c1cc(C)on1)C(N)=O |r| Show InChI InChI=1S/C22H21N5O5/c1-12-10-16(26-32-12)22(2,30)7-6-13-4-5-15-14(11-13)20-25-17(19(23)28)18(21(29)24-3)27(20)8-9-31-15/h4-5,10-11,30H,8-9H2,1-3H3,(H2,23,28)(H,24,29)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM158537 (US9034866, 12) Show SMILES CC(C)(O)C#Cc1ccc2OCC(O)c3sc(nc3-c2c1)C(N)=O Show InChI InChI=1S/C17H16N2O4S/c1-17(2,22)6-5-9-3-4-12-10(7-9)13-14(11(20)8-23-12)24-16(19-13)15(18)21/h3-4,7,11,20,22H,8H2,1-2H3,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158770 (US9034866, 245) Show SMILES C[C@@H]1Cn2cc(nc2-c2cc(ccc2O1)C#CC(C)(C)O)C(N)=O |r| Show InChI InChI=1S/C18H19N3O3/c1-11-9-21-10-14(16(19)22)20-17(21)13-8-12(4-5-15(13)24-11)6-7-18(2,3)23/h4-5,8,10-11,23H,9H2,1-3H3,(H2,19,22)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50266977 (CHEMBL4086137) Show SMILES NC(=O)c1ccc2OCCc3ccsc3-c2n1 Show InChI InChI=1S/C12H10N2O2S/c13-12(15)8-1-2-9-10(14-8)11-7(3-5-16-9)4-6-17-11/h1-2,4,6H,3,5H2,(H2,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158575 (US9034866, 50) Show SMILES CN(C)C(=O)c1c(nc2-c3cc(C#CC(C)(C)O)c(F)cc3OCCn12)C(N)=O Show InChI InChI=1S/C20H21FN4O4/c1-20(2,28)6-5-11-9-12-14(10-13(11)21)29-8-7-25-16(19(27)24(3)4)15(17(22)26)23-18(12)25/h9-10,28H,7-8H2,1-4H3,(H2,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM158583 (US9034866, 58) Show SMILES NC(=O)c1cn2CCOc3cc(F)c(cc3-c2n1)C#CC1(O)COC1 Show InChI InChI=1S/C17H14FN3O4/c18-12-6-14-11(5-10(12)1-2-17(23)8-24-9-17)16-20-13(15(19)22)7-21(16)3-4-25-14/h5-7,23H,3-4,8-9H2,(H2,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin) after 1 to 2 hrs by ADP-FP assay				J Med Chem 60: 627-640 (2017) Article DOI: 10.1021/acs.jmedchem.6b01363 BindingDB Entry DOI: 10.7270/Q2K35X4S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50249132 ((4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fl...) Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(Cc2ncc[nH]2)CC1 Show InChI InChI=1S/C22H22FN3O/c23-20-7-5-18(6-8-20)17-1-3-19(4-2-17)22(27)26-13-9-16(10-14-26)15-21-24-11-12-25-21/h1-8,11-12,16H,9-10,13-15H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...				Bioorg Med Chem Lett 19: 2206-10 (2009) Article DOI: 10.1016/j.bmcl.2009.02.126 BindingDB Entry DOI: 10.7270/Q20Z735D
					More data for this Ligand-Target Pair

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