Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'de stanchina' and Initial = 'e'   

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))	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))	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))	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
Peptide deformylase (Escherichia coli)	BDBM50089194 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...) Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli peptide deformylase using fMAHA as substrate after 1 hr by FLUO assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50089194 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...) Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349088 (CHEMBL1808001) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1coc2c1C(=O)C(=O)C(Br)=C2Br |c:26| Show InChI InChI=1S/C18H12Br2O7/c1-24-9-4-7(5-10(25-2)17(9)26-3)14(21)8-6-27-18-11(8)15(22)16(23)12(19)13(18)20/h4-6H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349084 (CHEMBL1807952) Show SMILES COc1ccc(cc1OC)C(=O)c1coc2c1C(=O)C(=O)C(Cl)=C2Cl |c:24| Show InChI InChI=1S/C17H10Cl2O6/c1-23-9-4-3-7(5-10(9)24-2)14(20)8-6-25-17-11(8)15(21)16(22)12(18)13(17)19/h3-6H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-Mephenytoin as substrate measured after 45 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate measured after 5 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349087 (CHEMBL1807999) Show SMILES COc1ccc(cc1OC)C(=O)c1coc2c1C(=O)C(=O)C(Br)=C2Br |c:24| Show InChI InChI=1S/C17H10Br2O6/c1-23-9-4-3-7(5-10(9)24-2)14(20)8-6-25-17-11(8)15(21)16(22)12(18)13(17)19/h3-6H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate measured after 10 mins in presence of NADPH by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349083 (CHEMBL1807950) Show SMILES COc1ccc(cc1)C(=O)c1coc2c1C(=O)C(=O)C(Cl)=C2Cl |c:22| Show InChI InChI=1S/C16H8Cl2O5/c1-22-8-4-2-7(3-5-8)13(19)9-6-23-16-10(9)14(20)15(21)11(17)12(16)18/h2-6H,1H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349082 (CHEMBL1807948) Show SMILES COc1ccc(cc1)C(=O)c1coc2c1C(=O)C(=O)C=C2Br |c:21| Show InChI InChI=1S/C16H9BrO5/c1-21-9-4-2-8(3-5-9)14(19)10-7-22-16-11(17)6-12(18)15(20)13(10)16/h2-7H,1H3	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349080 (CHEMBL1807947) Show SMILES COc1ccc(cc1)C(=O)c1coc2c1C(=O)C(=O)C=C2Cl |c:21| Show InChI InChI=1S/C16H9ClO5/c1-21-9-4-2-8(3-5-9)14(19)10-7-22-16-11(17)6-12(18)15(20)13(10)16/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349085 (CHEMBL1808000) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1coc2c1C(=O)C(=O)C(Cl)=C2Cl |c:26| Show InChI InChI=1S/C18H12Cl2O7/c1-24-9-4-7(5-10(25-2)17(9)26-3)14(21)8-6-27-18-11(8)15(22)16(23)12(19)13(18)20/h4-6H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG stably expressed in CHO cells at -80 mV by automated Qpatch electrophysiological assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349089 (CHEMBL1807946) Show SMILES COc1ccc(cc1)C(=O)c1coc2C=C(Br)C(=O)C(=O)c12 |t:15| Show InChI InChI=1S/C16H9BrO5/c1-21-9-4-2-8(3-5-9)14(18)10-7-22-12-6-11(17)15(19)16(20)13(10)12/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349079 (CHEMBL1807944) Show SMILES COc1ccc(cc1)C(=O)c1coc2C=CC(=O)C(=O)c12 |c:15| Show InChI InChI=1S/C16H10O5/c1-20-10-4-2-9(3-5-10)15(18)11-8-21-13-7-6-12(17)16(19)14(11)13/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349081 (CHEMBL1807945) Show SMILES COc1ccc(cc1)C(=O)c1coc2C=C(Cl)C(=O)C(=O)c12 |t:15| Show InChI InChI=1S/C16H9ClO5/c1-21-9-4-2-8(3-5-9)14(18)10-7-22-12-6-11(17)15(19)16(20)13(10)12/h2-7H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349077 (CHEMBL1807949) Show SMILES ClC1=C(Cl)C(=O)C(=O)c2c(coc12)C(=O)c1ccccc1 |c:1| Show InChI InChI=1S/C15H6Cl2O4/c16-10-11(17)15-9(13(19)14(10)20)8(6-21-15)12(18)7-4-2-1-3-5-7/h1-6H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Glutaminase liver isoform, mitochondrial (Homo sapiens)	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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human GLS2 using glutamine as substrate preincubated for 10 mins followed by substrate addition and measured for 20 mins by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01398 BindingDB Entry DOI: 10.7270/Q25D8WGC
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349078 (CHEMBL1807943) Show SMILES O=C(c1coc2C=CC(=O)C(=O)c12)c1ccccc1 |c:6| Show InChI InChI=1S/C15H8O4/c16-11-6-7-12-13(15(11)18)10(8-19-12)14(17)9-4-2-1-3-5-9/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50349086 (CHEMBL1807951) Show SMILES COc1ccc(cc1)C(=O)c1coc2c1C(=O)C(=O)C(Br)=C2Br |c:22| Show InChI InChI=1S/C16H8Br2O5/c1-22-8-4-2-7(3-5-8)13(19)9-6-23-16-10(9)14(20)15(21)11(17)12(16)18/h2-6H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50349084 (CHEMBL1807952) Show SMILES COc1ccc(cc1OC)C(=O)c1coc2c1C(=O)C(=O)C(Cl)=C2Cl |c:24| Show InChI InChI=1S/C17H10Cl2O6/c1-23-9-4-3-7(5-10(9)24-2)14(20)8-6-25-17-11(8)15(21)16(22)12(18)13(17)19/h3-6H,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50349077 (CHEMBL1807949) Show SMILES ClC1=C(Cl)C(=O)C(=O)c2c(coc12)C(=O)c1ccccc1 |c:1| Show InChI InChI=1S/C15H6Cl2O4/c16-10-11(17)15-9(13(19)14(10)20)8(6-21-15)12(18)7-4-2-1-3-5-7/h1-6H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of Escherichia coli peptide deformylase after 1 hr by fluorescence polarization based competition assay				Bioorg Med Chem Lett 21: 4528-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.129 BindingDB Entry DOI: 10.7270/Q2VT1SGT
					More data for this Ligand-Target Pair

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