Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'yau' and Initial = 'ja'   

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
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404825 (1-(4-{6-[2-(pyridin-2- yl)acetamido]pyridazin-3-yl...) Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4ccccn4)nn3)nn2)c1 Show InChI InChI=1S/C26H25F3N8O3/c27-26(28,29)40-21-9-5-6-18(14-21)16-31-25(39)22-17-37(36-34-22)13-4-2-7-19-10-11-23(35-33-19)32-24(38)15-20-8-1-3-12-30-20/h1,3,5-6,8-12,14,17H,2,4,7,13,15-16H2,(H,31,39)(H,32,35,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM109086 (US10793535, Cmpd ID 727 | US8604016, 670 | US99382...) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404911 ((R)-1-(2-fluoro-4-(6-(2-(4-(3- (trifluoromethoxy)p...) Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(ccn3)-c3cccc(OC(F)(F)F)c3)nn2)nn1 |r| Show InChI InChI=1S/C26H24F4N8O3/c1-31-25(40)22-15-38(37-35-22)14-18(27)5-6-19-7-8-23(36-34-19)33-24(39)13-20-11-17(9-10-32-20)16-3-2-4-21(12-16)41-26(28,29)30/h2-4,7-12,15,18H,5-6,13-14H2,1H3,(H,31,40)(H,33,36,39)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404848 (N-methyl-1-{4-[6-(2-{4-[3- (trifluoromethoxy)pheny...) Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(ccn3)-c3cccc(OC(F)(F)F)c3)nn2)nn1 Show InChI InChI=1S/C26H25F3N8O3/c1-30-25(39)22-16-37(36-34-22)12-3-2-6-19-8-9-23(35-33-19)32-24(38)15-20-13-18(10-11-31-20)17-5-4-7-21(14-17)40-26(27,28)29/h4-5,7-11,13-14,16H,2-3,6,12,15H2,1H3,(H,30,39)(H,32,35,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404666 (US10344025, Example 5 | US11370786, Example 5) Show SMILES O=C(Cc1ccccc1)Nc1ccc(CCCCn2cc(nn2)C(=O)NCc2ccccc2)nn1 Show InChI InChI=1S/C26H27N7O2/c34-25(17-20-9-3-1-4-10-20)28-24-15-14-22(29-31-24)13-7-8-16-33-19-23(30-32-33)26(35)27-18-21-11-5-2-6-12-21/h1-6,9-12,14-15,19H,7-8,13,16-18H2,(H,27,35)(H,28,31,34)	PDB MMDB 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
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM405185 (N-(pyridin-2-ylmethyl)-1-[4-(6-{2-[3- (trifluorome...) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCn3cc(nn3)C(=O)NCc3ccccn3)nn2)c1 Show InChI InChI=1S/C26H25F3N8O3/c27-26(28,29)40-21-9-5-6-18(14-21)15-24(38)32-23-11-10-19(33-35-23)7-2-4-13-37-17-22(34-36-37)25(39)31-16-20-8-1-3-12-30-20/h1,3,5-6,8-12,14,17H,2,4,7,13,15-16H2,(H,31,39)(H,32,35,38)	PDB MMDB 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
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM405183 (N-(cyanomethyl)-1-[4-(6-{2-[3- (trifluoromethoxy)p...) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCn3cc(nn3)C(=O)NCC#N)nn2)c1 Show InChI InChI=1S/C22H21F3N8O3/c23-22(24,25)36-17-6-3-4-15(12-17)13-20(34)28-19-8-7-16(29-31-19)5-1-2-11-33-14-18(30-32-33)21(35)27-10-9-26/h3-4,6-8,12,14H,1-2,5,10-11,13H2,(H,27,35)(H,28,31,34)	PDB MMDB 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
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50548670 (CHEMBL4741924) Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLS1 in human A549 cells assessed as reduction in conversion of glutamine to glutamate measured after 24 hrs				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404924 ((R)-1-(2-fluoro-4-(6-(2-(6-methyl-4- (trifluoromet...) Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(cc(C)n3)C(F)(F)F)nn2)nn1 |r| Show InChI InChI=1S/C21H22F4N8O2/c1-12-7-13(21(23,24)25)8-16(27-12)9-19(34)28-18-6-5-15(29-31-18)4-3-14(22)10-33-11-17(30-32-33)20(35)26-2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,26,35)(H,28,31,34)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50548671 (CHEMBL4797071) Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CCC4)ccn3)nn2)nn1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM405207 (N-(2-methoxyethyl)-1-[4-(6-{2-[3- (trifluoromethox...) Show SMILES COCCNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1 Show InChI InChI=1S/C23H26F3N7O4/c1-36-12-10-27-22(35)19-15-33(32-30-19)11-3-2-6-17-8-9-20(31-29-17)28-21(34)14-16-5-4-7-18(13-16)37-23(24,25)26/h4-5,7-9,13,15H,2-3,6,10-12,14H2,1H3,(H,27,35)(H,28,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404928 ((R)-1-(4-(6-(2-(4-(3,3- difluorocyclobutoxy)pyridi...) Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1 |r| Show InChI InChI=1S/C23H25F3N8O3/c1-27-22(36)19-13-34(33-31-19)12-14(24)2-3-15-4-5-20(32-30-15)29-21(35)9-16-8-17(6-7-28-16)37-18-10-23(25,26)11-18/h4-8,13-14,18H,2-3,9-12H2,1H3,(H,27,36)(H,29,32,35)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50400050 (CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...) Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50548670 (CHEMBL4741924) Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404910 ((R)-1-(2-fluoro-4-(6-(2-(pyridin-2- yl)acetamido)p...) Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1 |r| Show InChI InChI=1S/C19H21FN8O2/c1-21-19(30)16-12-28(27-25-16)11-13(20)5-6-14-7-8-17(26-24-14)23-18(29)10-15-4-2-3-9-22-15/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,21,30)(H,23,26,29)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404813 (N-methyl-1-[4-(6-{2-[3- (trifluoromethoxy)phenyl]a...) Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1 Show InChI InChI=1S/C21H22F3N7O3/c1-25-20(33)17-13-31(30-28-17)10-3-2-6-15-8-9-18(29-27-15)26-19(32)12-14-5-4-7-16(11-14)34-21(22,23)24/h4-5,7-9,11,13H,2-3,6,10,12H2,1H3,(H,25,33)(H,26,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404866 (N-methyl-1-(4-(6-(2-(4- (trifluoromethyl)pyridin-2...) Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(ccn3)C(F)(F)F)nn2)nn1 Show InChI InChI=1S/C20H21F3N8O2/c1-24-19(33)16-12-31(30-28-16)9-3-2-4-14-5-6-17(29-27-14)26-18(32)11-15-10-13(7-8-25-15)20(21,22)23/h5-8,10,12H,2-4,9,11H2,1H3,(H,24,33)(H,26,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404915 ((R)-1-(2-fluoro-4-(6-(2-(4- (trifluoromethyl)pyrid...) Show SMILES CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(ccn3)C(F)(F)F)nn2)nn1 |r| Show InChI InChI=1S/C20H20F4N8O2/c1-25-19(34)16-11-32(31-29-16)10-13(21)2-3-14-4-5-17(30-28-14)27-18(33)9-15-8-12(6-7-26-15)20(22,23)24/h4-8,11,13H,2-3,9-10H2,1H3,(H,25,34)(H,27,30,33)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404917 (1-(4-(6-(2-(4-(3,3- difluorocyclobutoxy)pyridin-2-...) Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)ccn3)nn2)nn1 Show InChI InChI=1S/C23H26F2N8O3/c1-26-22(35)19-14-33(32-30-19)9-3-2-4-15-5-6-20(31-29-15)28-21(34)11-16-10-17(7-8-27-16)36-18-12-23(24,25)13-18/h5-8,10,14,18H,2-4,9,11-13H2,1H3,(H,26,35)(H,28,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404881 (N-methyl-1-(4-(6-(2-(4-(2,2,2- trifluoroethoxy)pyr...) Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OCC(F)(F)F)ccn3)nn2)nn1 Show InChI InChI=1S/C21H23F3N8O3/c1-25-20(34)17-12-32(31-29-17)9-3-2-4-14-5-6-18(30-28-14)27-19(33)11-15-10-16(7-8-26-15)35-13-21(22,23)24/h5-8,10,12H,2-4,9,11,13H2,1H3,(H,25,34)(H,27,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404912 ((S)-1-(2-fluoro-4-(6-(2-(pyridin-2- yl)acetamido)p...) Show SMILES CNC(=O)c1cn(C[C@@H](F)CCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1 |r| Show InChI InChI=1S/C19H21FN8O2/c1-21-19(30)16-12-28(27-25-16)11-13(20)5-6-14-7-8-17(26-24-14)23-18(29)10-15-4-2-3-9-22-15/h2-4,7-9,12-13H,5-6,10-11H2,1H3,(H,21,30)(H,23,26,29)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM405197 (N-methyl-1-(4-{6-[2-(pyridin-3- yl)acetamido]pyrid...) Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccnc3)nn2)nn1 Show InChI InChI=1S/C19H22N8O2/c1-20-19(29)16-13-27(26-24-16)10-3-2-6-15-7-8-17(25-23-15)22-18(28)11-14-5-4-9-21-12-14/h4-5,7-9,12-13H,2-3,6,10-11H2,1H3,(H,20,29)(H,22,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404823 (N-methyl-1-(4-{6-[2-(pyridin-2- yl)acetamido]pyrid...) Show SMILES CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1 Show InChI InChI=1S/C19H22N8O2/c1-20-19(29)16-13-27(26-24-16)11-5-3-6-14-8-9-17(25-23-14)22-18(28)12-15-7-2-4-10-21-15/h2,4,7-10,13H,3,5-6,11-12H2,1H3,(H,20,29)(H,22,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM405184 (N-(2-hydroxyethyl)-1-[4-(6-{2-[3- (trifluoromethox...) Show SMILES OCCNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1 Show InChI InChI=1S/C22H24F3N7O4/c23-22(24,25)36-17-6-3-4-15(12-17)13-20(34)27-19-8-7-16(28-30-19)5-1-2-10-32-14-18(29-31-32)21(35)26-9-11-33/h3-4,6-8,12,14,33H,1-2,5,9-11,13H2,(H,26,35)(H,27,30,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM405182 (N-(propan-2-yl)-1-[4-(6-{2-[3- (trifluoromethoxy)p...) Show SMILES CC(C)NC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1 Show InChI InChI=1S/C23H26F3N7O3/c1-15(2)27-22(35)19-14-33(32-30-19)11-4-3-7-17-9-10-20(31-29-17)28-21(34)13-16-6-5-8-18(12-16)36-23(24,25)26/h5-6,8-10,12,14-15H,3-4,7,11,13H2,1-2H3,(H,27,35)(H,28,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM405205 (N-(2-hydroxy-2-methylpropyl)-1-[4- (6-{2-[3- (trif...) Show SMILES CC(C)(O)CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1 Show InChI InChI=1S/C24H28F3N7O4/c1-23(2,37)15-28-22(36)19-14-34(33-31-19)11-4-3-7-17-9-10-20(32-30-17)29-21(35)13-16-6-5-8-18(12-16)38-24(25,26)27/h5-6,8-10,12,14,37H,3-4,7,11,13,15H2,1-2H3,(H,28,36)(H,29,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS1 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242245 (CHEMBL4081658) Show SMILES CCC[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C30H37N3O8/c1-3-11-23-25(41-28(23)36)27(35)31-17-10-16-24(29(37)39-18-21-12-6-4-7-13-21)33-26(34)20(2)32-30(38)40-19-22-14-8-5-9-15-22/h4-9,12-15,20,23-25H,3,10-11,16-19H2,1-2H3,(H,31,35)(H,32,38)(H,33,34)/t20-,23-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of FAS thioster domain (unknown origin)				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242243 (CHEMBL4059718) Show SMILES CC(C)C[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H39N3O8/c1-20(2)17-24-26(42-29(24)37)28(36)32-16-10-15-25(30(38)40-18-22-11-6-4-7-12-22)34-27(35)21(3)33-31(39)41-19-23-13-8-5-9-14-23/h4-9,11-14,20-21,24-26H,10,15-19H2,1-3H3,(H,32,36)(H,33,39)(H,34,35)/t21-,24-,25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Baylor University Curated by ChEMBL					Assay Description Inhibition of FAS thioster domain (unknown origin)				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242221 (CHEMBL4084033) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-3-4-5-12-18-26-28(44-31(26)39)30(38)34-20-13-19-27(32(40)42-21-24-14-8-6-9-15-24)36-29(37)23(2)35-33(41)43-22-25-16-10-7-11-17-25/h6-11,14-17,23,26-28H,3-5,12-13,18-22H2,1-2H3,(H,34,38)(H,35,41)(H,36,37)/t23-,26-,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Baylor University Curated by ChEMBL					Assay Description Inhibition of FAS thioster domain (unknown origin)				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242232 (CHEMBL4071106) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccc(cc1)C#C |r| Show InChI InChI=1S/C36H45N3O8/c1-4-6-7-11-16-29-31(47-35(29)43)33(41)37-22-13-12-17-30(39-36(44)46-24-27-14-9-8-10-15-27)32(40)38-25(3)34(42)45-23-28-20-18-26(5-2)19-21-28/h2,8-10,14-15,18-21,25,29-31H,4,6-7,11-13,16-17,22-24H2,1,3H3,(H,37,41)(H,38,40)(H,39,44)/t25-,29-,30-,31+/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	260	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242223 (CHEMBL4091800) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-33(27)41)31(39)35-21-14-13-20-28(37-34(42)44-23-26-17-10-7-11-18-26)30(38)36-24(2)32(40)43-22-25-15-8-6-9-16-25/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,38)(H,37,42)/t24-,27-,28-,29+/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	370	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242244 (CHEMBL4073670) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-32(27)40)31(39)35-21-14-13-20-28(33(41)43-22-25-15-8-6-9-16-25)37-30(38)24(2)36-34(42)44-23-26-17-10-7-11-18-26/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,42)(H,37,38)/t24-,27-,28-,29+/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	500	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242222 (CHEMBL4062314) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H42BrN3O7/c1-3-4-5-9-14-26-28(44-32(26)41)31(40)35-20-11-10-15-27(33(42)43-21-23-12-7-6-8-13-23)37-29(38)22(2)36-30(39)24-16-18-25(34)19-17-24/h6-8,12-13,16-19,22,26-28H,3-5,9-11,14-15,20-21H2,1-2H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,27-,28+/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	510	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242224 (CHEMBL4070939) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@@H]1NC(=O)N([C@@H](C)C(=O)OCc2ccccc2)C1=O |r| Show InChI InChI=1S/C27H37N3O7/c1-3-4-5-9-14-20-22(37-26(20)34)23(31)28-16-11-10-15-21-24(32)30(27(35)29-21)18(2)25(33)36-17-19-12-7-6-8-13-19/h6-8,12-13,18,20-22H,3-5,9-11,14-17H2,1-2H3,(H,28,31)(H,29,35)/t18-,20-,21-,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	510	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242242 (CHEMBL4100488) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-2-3-4-11-18-26-29(44-31(26)39)30(38)34-20-13-12-19-27(32(40)42-22-24-14-7-5-8-15-24)36-28(37)21-35-33(41)43-23-25-16-9-6-10-17-25/h5-10,14-17,26-27,29H,2-4,11-13,18-23H2,1H3,(H,34,38)(H,35,41)(H,36,37)/t26-,27-,29+/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	570	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242221 (CHEMBL4084033) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-3-4-5-12-18-26-28(44-31(26)39)30(38)34-20-13-19-27(32(40)42-21-24-14-8-6-9-15-24)36-29(37)23(2)35-33(41)43-22-25-16-10-7-11-17-25/h6-11,14-17,23,26-28H,3-5,12-13,18-22H2,1-2H3,(H,34,38)(H,35,41)(H,36,37)/t23-,26-,27-,28+/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	700	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242231 (CHEMBL4098160) Show SMILES CCCCCC[C@]1(C)[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29-,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242226 (CHEMBL4081526) Show SMILES CCCCCC[C@@H]1[C@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-2-3-4-11-18-26-29(44-31(26)39)30(38)34-20-13-12-19-27(32(40)42-22-24-14-7-5-8-15-24)36-28(37)21-35-33(41)43-23-25-16-9-6-10-17-25/h5-10,14-17,26-27,29H,2-4,11-13,18-23H2,1H3,(H,34,38)(H,35,41)(H,36,37)/t26-,27+,29+/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	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242223 (CHEMBL4091800) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-33(27)41)31(39)35-21-14-13-20-28(37-34(42)44-23-26-17-10-7-11-18-26)30(38)36-24(2)32(40)43-22-25-15-8-6-9-16-25/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,38)(H,37,42)/t24-,27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50242221 (CHEMBL4084033) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-3-4-5-12-18-26-28(44-31(26)39)30(38)34-20-13-19-27(32(40)42-21-24-14-8-6-9-15-24)36-29(37)23(2)35-33(41)43-22-25-16-10-7-11-17-25/h6-11,14-17,23,26-28H,3-5,12-13,18-22H2,1-2H3,(H,34,38)(H,35,41)(H,36,37)/t23-,26-,27-,28+/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	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Z-Leu-Leu-Glu-AMC substrate additio...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242228 (CHEMBL4066131) Show SMILES CCCCCC[C@]1(C)[C@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29+,35+/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	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242227 (CHEMBL4087502) Show SMILES CCCCCC[C@@]1(C)[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242227 (CHEMBL4087502) Show SMILES CCCCCC[C@@]1(C)[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242225 (CHEMBL4099536) Show SMILES CCCCCC[C@@H]1[C@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-33(27)41)31(39)35-21-14-13-20-28(37-34(42)44-23-26-17-10-7-11-18-26)30(38)36-24(2)32(40)43-22-25-15-8-6-9-16-25/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,38)(H,37,42)/t24-,27+,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50242222 (CHEMBL4062314) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H42BrN3O7/c1-3-4-5-9-14-26-28(44-32(26)41)31(40)35-20-11-10-15-27(33(42)43-21-23-12-7-6-8-13-23)37-29(38)22(2)36-30(39)24-16-18-25(34)19-17-24/h6-8,12-13,16-19,22,26-28H,3-5,9-11,14-15,20-21H2,1-2H3,(H,35,40)(H,36,39)(H,37,38)/t22-,26-,27-,28+/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	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Z-Leu-Leu-Glu-AMC substrate additio...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50242244 (CHEMBL4073670) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-32(27)40)31(39)35-21-14-13-20-28(33(41)43-22-25-15-8-6-9-16-25)37-30(38)24(2)36-34(42)44-23-26-17-10-7-11-18-26/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,42)(H,37,38)/t24-,27-,28-,29+/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	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Z-Leu-Leu-Glu-AMC substrate additio...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242228 (CHEMBL4066131) Show SMILES CCCCCC[C@]1(C)[C@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29+,35+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50242244 (CHEMBL4073670) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O8/c1-3-4-5-12-19-27-29(45-32(27)40)31(39)35-21-14-13-20-28(33(41)43-22-25-15-8-6-9-16-25)37-30(38)24(2)36-34(42)44-23-26-17-10-7-11-18-26/h6-11,15-18,24,27-29H,3-5,12-14,19-23H2,1-2H3,(H,35,39)(H,36,42)(H,37,38)/t24-,27-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50242231 (CHEMBL4098160) Show SMILES CCCCCC[C@]1(C)[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H47N3O8/c1-4-5-6-14-21-35(3)29(46-33(35)42)31(40)36-22-15-13-20-28(32(41)44-23-26-16-9-7-10-17-26)38-30(39)25(2)37-34(43)45-24-27-18-11-8-12-19-27/h7-12,16-19,25,28-29H,4-6,13-15,20-24H2,1-3H3,(H,36,40)(H,37,43)(H,38,39)/t25-,28-,29-,35+/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	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Suc-Leu-Leu-Val-Tyr-AMC substr...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair
Proteasome subunit beta type-1 (Homo sapiens (Human))	BDBM50242242 (CHEMBL4100488) Show SMILES CCCCCC[C@H]1[C@@H](OC1=O)C(=O)NCCCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C33H43N3O8/c1-2-3-4-11-18-26-29(44-31(26)39)30(38)34-20-13-12-19-27(32(40)42-22-24-14-7-5-8-15-24)36-28(37)21-35-33(41)43-23-25-16-9-6-10-17-25/h5-10,14-17,26-27,29H,2-4,11-13,18-23H2,1H3,(H,34,38)(H,35,41)(H,36,37)/t26-,27-,29+/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	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of caspase-like activity of 20S proteasome in human red blood cells pretreated for 20 mins followed by Z-Leu-Leu-Glu-AMC substrate additio...				Bioorg Med Chem 25: 2901-2916 (2017) Article DOI: 10.1016/j.bmc.2017.01.020 BindingDB Entry DOI: 10.7270/Q26W9DG3
					More data for this Ligand-Target Pair

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