Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'zimmermann' and Initial = 'c'   

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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50008072 ((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...) Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r| Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 acetylcholine receptor (unknown origin)				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Binding affinity to muscarinic M1 acetylcholine receptor (unknown origin)				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503299 (CHEMBL4538736) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](C3)c3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 |r| Show InChI InChI=1S/C28H26F3N7O3S/c29-28(30,31)41-22-6-3-4-17(14-22)15-24(39)33-23-10-9-21(35-36-23)13-18-7-8-19(12-18)26-37-38-27(42-26)34-25(40)16-20-5-1-2-11-32-20/h1-6,9-11,14,18-19H,7-8,12-13,15-16H2,(H,33,36,39)(H,34,38,40)/t18-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503300 (CHEMBL4547874) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(C[C@H]3C[C@H](C3)c3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 |r,wD:21.23,19.18,(91.7,-43.25,;90.36,-44.02,;90.37,-45.56,;91.69,-44.79,;89.02,-43.26,;87.7,-44.03,;87.71,-45.58,;86.37,-46.35,;85.03,-45.58,;85.04,-44.04,;83.7,-43.27,;82.37,-44.04,;82.37,-45.58,;81.03,-43.27,;79.7,-44.04,;79.7,-45.58,;78.36,-46.36,;77.04,-45.58,;75.71,-46.35,;74.37,-45.57,;73.98,-44.09,;72.49,-44.49,;72.89,-45.97,;71.16,-43.72,;70.68,-42.25,;69.14,-42.25,;68.67,-43.72,;67.32,-44.48,;65.99,-43.7,;66,-42.16,;64.65,-44.46,;63.33,-43.68,;63.35,-42.14,;62.02,-41.36,;60.68,-42.12,;60.67,-43.67,;62,-44.44,;69.92,-44.63,;77.03,-44.04,;78.35,-43.27,;86.36,-43.27,)| Show InChI InChI=1S/C27H24F3N7O3S/c28-27(29,30)40-21-6-3-4-16(13-21)14-23(38)32-22-8-7-20(34-35-22)12-17-10-18(11-17)25-36-37-26(41-25)33-24(39)15-19-5-1-2-9-31-19/h1-9,13,17-18H,10-12,14-15H2,(H,32,35,38)(H,33,37,39)/t17-,18+	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503313 (CHEMBL4454263) Show SMILES Cn1ccc(CC(=O)Nc2nnc(s2)[C@H]2C[C@]3(C[C@@H](C3)c3nnc(NC(=O)Cc4ccn(C)n4)s3)C2)n1 |r,wU:16.17,18.21,wD:14.14,(22.28,-3.9,;23.81,-3.75,;24.59,-2.42,;26.09,-2.75,;26.25,-4.29,;27.58,-5.07,;28.91,-4.31,;28.93,-2.77,;30.24,-5.09,;31.58,-4.33,;32.06,-2.86,;33.6,-2.86,;34.08,-4.33,;32.83,-5.23,;35.41,-5.09,;35.8,-6.58,;37.29,-6.19,;37.69,-7.68,;39.17,-7.28,;38.78,-5.79,;40.51,-8.05,;41.75,-7.14,;43,-8.05,;42.52,-9.51,;43.84,-10.28,;45.18,-9.52,;45.19,-7.98,;46.51,-10.29,;47.85,-9.53,;48.01,-7.99,;49.52,-7.67,;50.28,-9.01,;51.82,-9.17,;49.25,-10.15,;40.98,-9.51,;36.89,-4.7,;24.83,-4.9,)| Show InChI InChI=1S/C23H26N10O2S2/c1-32-5-3-15(30-32)7-17(34)24-21-28-26-19(36-21)13-9-23(10-13)11-14(12-23)20-27-29-22(37-20)25-18(35)8-16-4-6-33(2)31-16/h3-6,13-14H,7-12H2,1-2H3,(H,24,28,34)(H,25,29,35)/t13-,14-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503298 (CHEMBL4462146) Show SMILES Cn1ccc(CC(=O)Nc2nnc(s2)[C@H]2C[C@@]3(C[C@@H](C3)c3nnc(NC(=O)Cc4ccn(C)n4)s3)C2)n1 |r,wU:14.14,16.38,wD:18.21,(1.74,-4.96,;3.28,-4.81,;4.06,-3.49,;5.56,-3.82,;5.71,-5.35,;7.04,-6.13,;8.38,-5.37,;8.39,-3.83,;9.71,-6.15,;11.05,-5.39,;11.53,-3.92,;13.07,-3.92,;13.54,-5.39,;12.3,-6.29,;14.87,-6.16,;16.35,-5.76,;16.76,-7.26,;18.24,-6.86,;18.64,-8.34,;17.15,-8.74,;19.98,-9.11,;21.22,-8.21,;22.47,-9.11,;21.99,-10.58,;23.31,-11.35,;24.65,-10.58,;24.65,-9.04,;25.98,-11.36,;27.32,-10.59,;27.48,-9.05,;28.99,-8.74,;29.75,-10.07,;31.28,-10.24,;28.72,-11.21,;20.45,-10.58,;15.27,-7.64,;4.3,-5.97,)| Show InChI InChI=1S/C23H26N10O2S2/c1-32-5-3-15(30-32)7-17(34)24-21-28-26-19(36-21)13-9-23(10-13)11-14(12-23)20-27-29-22(37-20)25-18(35)8-16-4-6-33(2)31-16/h3-6,13-14H,7-12H2,1-2H3,(H,24,28,34)(H,25,29,35)/t13-,14-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of kidney-type glutaminase in human BT20 cells assessed as reduction in glutamate level				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					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	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM416667 ((2R)-2-Methoxy-2-[3-methoxy-5-(trifluoromethoxy)ph...) Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cc(OC)cc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C21H22F3N7O4S/c1-33-14-8-12(9-15(10-14)35-21(22,23)24)17(34-2)18(32)27-20-30-29-19(36-20)26-13-5-7-31(11-13)16-4-3-6-25-28-16/h3-4,6,8-10,13,17H,5,7,11H2,1-2H3,(H,26,29)(H,27,30,32)/t13-,17-/m1/s1	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 Curated by ChEMBL					Assay Description Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM416666 ((2S)-2-Methoxy-2-[3-methoxy-5-(trifluoromethoxy)ph...) Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cc(OC)cc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C21H22F3N7O4S/c1-33-14-8-12(9-15(10-14)35-21(22,23)24)17(34-2)18(32)27-20-30-29-19(36-20)26-13-5-7-31(11-13)16-4-3-6-25-28-16/h3-4,6,8-10,13,17H,5,7,11H2,1-2H3,(H,26,29)(H,27,30,32)/t13-,17+/m1/s1	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 Curated by ChEMBL					Assay Description Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM108726 (US8604016, 1038 | US9938267, Cmpd ID 1038) Show SMILES O=C(Cc1ccccc1)Nc1ccc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)nn1 Show InChI InChI=1S/C28H28N6O2/c35-27(19-21-9-3-1-4-10-21)29-25-17-15-23(31-33-25)13-7-8-14-24-16-18-26(34-32-24)30-28(36)20-22-11-5-2-6-12-22/h1-6,9-12,15-18H,7-8,13-14,19-20H2,(H,29,33,35)(H,30,34,36)	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM278400 ((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...) Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial (Mus musculus)	BDBM50503321 (CHEMBL4540444) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CC3CC(C3)c3nnc(NC(=O)Cc4ccccn4)s3)nn2)c1 |(59.77,-42.92,;58.44,-43.69,;58.44,-45.23,;59.76,-44.46,;57.1,-42.93,;55.77,-43.7,;55.78,-45.25,;54.44,-46.03,;53.11,-45.25,;53.11,-43.71,;51.78,-42.95,;50.44,-43.71,;50.44,-45.25,;49.11,-42.95,;47.77,-43.72,;47.77,-45.26,;46.44,-46.03,;45.12,-45.25,;43.78,-46.02,;42.44,-45.25,;40.96,-45.64,;40.57,-44.16,;42.05,-43.77,;39.24,-43.4,;38.76,-41.92,;37.22,-41.92,;36.74,-43.4,;35.4,-44.15,;34.07,-43.38,;34.08,-41.84,;32.73,-44.13,;31.4,-43.36,;31.42,-41.82,;30.1,-41.03,;28.75,-41.8,;28.75,-43.35,;30.07,-44.11,;37.99,-44.3,;45.11,-43.72,;46.43,-42.95,;54.44,-42.95,)| Show InChI InChI=1S/C27H24F3N7O3S/c28-27(29,30)40-21-6-3-4-16(13-21)14-23(38)32-22-8-7-20(34-35-22)12-17-10-18(11-17)25-36-37-26(41-25)33-24(39)15-19-5-1-2-9-31-19/h1-9,13,17-18H,10-12,14-15H2,(H,32,35,38)(H,33,37,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Curated by ChEMBL					Assay Description Inhibition of mouse kidney glutaminase assessed as ammonia formation at 0.1 uM using glutamine as substrate by Nessler's reagent based assay relative...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM332752 ((2S)-2-[3-(Difluoromethoxy)phenyl]-2-methoxy-N-[6-...) Show SMILES CO[C@H](C(=O)Nc1ccc(nn1)N1CC[C@H](C1)Nc1cccnn1)c1cccc(OC(F)F)c1 |r| Show InChI InChI=1S/C22H23F2N7O3/c1-33-20(14-4-2-5-16(12-14)34-22(23)24)21(32)27-18-7-8-19(30-29-18)31-11-9-15(13-31)26-17-6-3-10-25-28-17/h2-8,10,12,15,20,22H,9,11,13H2,1H3,(H,26,28)(H,27,29,32)/t15-,20+/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 Curated by ChEMBL					Assay Description Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50547684 (CHEMBL4740067) Show SMILES O=C(Cc1ccccc1)Nc1nnc(SCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of human kidney glutaminase using [3H]-Glutamine as substrate in presence of inhibitor incubated for 45 mins by Perkin Elmer ba...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115698 BindingDB Entry DOI: 10.7270/Q2KW5KMV
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50180951 (CHEMBL3818465) Show SMILES ONC(=O)CCC(Cc1ccc(cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C13H15NO6/c15-11(14-20)6-5-10(13(18)19)7-8-1-3-9(4-2-8)12(16)17/h1-4,10,20H,5-7H2,(H,14,15)(H,16,17)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of recombinant human glutamate carboxypeptidase 2 (44 to 750 residues) overexpressed in Drosophila Schneider S2 cells using [3H]-NAAG/NAAG...				J Med Chem 60: 7799-7809 (2017) Article DOI: 10.1021/acs.jmedchem.7b00825 BindingDB Entry DOI: 10.7270/Q2FJ2JW6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM387008 ((2S)-N-[5-[[(3R)-1-(6-Fluoropyridazin-3-yl)pyrroli...) Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2ccc(F)nn2)s1)c1cccc(OC)c1 |r| Show InChI InChI=1S/C20H22FN7O3S/c1-30-14-5-3-4-12(10-14)17(31-2)18(29)23-20-27-26-19(32-20)22-13-8-9-28(11-13)16-7-6-15(21)24-25-16/h3-7,10,13,17H,8-9,11H2,1-2H3,(H,22,26)(H,23,27,29)/t13-,17+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM387025 ((2S)-N-[5-[[(3R)-1-(5-Chloropyridazin-3-yl)pyrroli...) Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cc(Cl)cnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C19H20ClN7O2S/c1-29-16(12-5-3-2-4-6-12)17(28)23-19-26-25-18(30-19)22-14-7-8-27(11-14)15-9-13(20)10-21-24-15/h2-6,9-10,14,16H,7-8,11H2,1H3,(H,22,25)(H,23,26,28)/t14-,16+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					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	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of human kidney glutaminase using [3H]-Glutamine as substrate in presence of inhibitor incubated for 45 mins by Perkin Elmer ba...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115698 BindingDB Entry DOI: 10.7270/Q2KW5KMV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial (Mus musculus)	BDBM50503296 (CHEMBL4452754) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(nn2)N2CCC(CC2)c2nnc(NC(=O)Cc3ccccn3)s2)c1 Show InChI InChI=1S/C27H25F3N8O3S/c28-27(29,30)41-20-6-3-4-17(14-20)15-23(39)32-21-7-8-22(35-34-21)38-12-9-18(10-13-38)25-36-37-26(42-25)33-24(40)16-19-5-1-2-11-31-19/h1-8,11,14,18H,9-10,12-13,15-16H2,(H,32,34,39)(H,33,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse kidney glutaminase assessed as ammonia formation at 0.1 uM using glutamine as substrate by Nessler's reagent based assay relative...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Mus musculus)	BDBM50503294 (CHEMBL4577734) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2nnc(s2)C2CCN(CC2)c2ccc(NC(=O)Cc3ccccn3)nn2)c1 Show InChI InChI=1S/C27H25F3N8O3S/c28-27(29,30)41-20-6-3-4-17(14-20)15-23(39)33-26-37-36-25(42-26)18-9-12-38(13-10-18)22-8-7-21(34-35-22)32-24(40)16-19-5-1-2-11-31-19/h1-8,11,14,18H,9-10,12-13,15-16H2,(H,32,34,40)(H,33,37,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse kidney glutaminase assessed as ammonia formation at 0.1 uM using glutamine as substrate by Nessler's reagent based assay relative...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Mus musculus)	BDBM50503291 (CHEMBL4562029) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccn4)s3)cn2)c1 Show InChI InChI=1S/C27H25F3N6O3S/c28-27(29,30)39-21-9-5-7-19(14-21)15-23(37)33-22-12-11-18(17-32-22)6-1-2-10-25-35-36-26(40-25)34-24(38)16-20-8-3-4-13-31-20/h3-5,7-9,11-14,17H,1-2,6,10,15-16H2,(H,32,33,37)(H,34,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse kidney glutaminase assessed as ammonia formation using glutamine as substrate by Nessler's reagent based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Mus musculus)	BDBM50503289 (CHEMBL4462220) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(nn2)N2CCCC(C2)c2nnc(NC(=O)Cc3ccccn3)s2)c1 Show InChI InChI=1S/C27H25F3N8O3S/c28-27(29,30)41-20-8-3-5-17(13-20)14-23(39)32-21-9-10-22(35-34-21)38-12-4-6-18(16-38)25-36-37-26(42-25)33-24(40)15-19-7-1-2-11-31-19/h1-3,5,7-11,13,18H,4,6,12,14-16H2,(H,32,34,39)(H,33,37,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mouse kidney glutaminase assessed as ammonia formation at 0.1 uM using glutamine as substrate by Nessler's reagent based assay relative...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50340753 (2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...) Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CCCN3CCOCC3)Cc3c(Cl)cncc3Cl)CC2)cc1 Show InChI InChI=1S/C31H39Cl3N8O2/c32-25-4-2-24(3-5-25)6-8-36-31-37-9-7-29(38-31)41-14-12-40(13-15-41)23-30(43)42(11-1-10-39-16-18-44-19-17-39)22-26-27(33)20-35-21-28(26)34/h2-5,7,9,20-21H,1,6,8,10-19,22-23H2,(H,36,37,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Antagonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assay				Bioorg Med Chem 22: 5831-7 (2014) Article DOI: 10.1016/j.bmc.2014.09.025 BindingDB Entry DOI: 10.7270/Q27P92CV
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50547673 (CHEMBL4786465) Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of human kidney glutaminase using [3H]-Glutamine as substrate in presence of inhibitor incubated for 45 mins by Perkin Elmer ba...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115698 BindingDB Entry DOI: 10.7270/Q2KW5KMV
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM278471 ((1S)-2-methyl-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolid...) Show SMILES CN1CCc2ccccc2[C@H]1C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r| Show InChI InChI=1S/C21H24N8OS/c1-28-11-8-14-5-2-3-6-16(14)18(28)19(30)24-21-27-26-20(31-21)23-15-9-12-29(13-15)17-7-4-10-22-25-17/h2-7,10,15,18H,8-9,11-13H2,1H3,(H,23,26)(H,24,27,30)/t15-,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50172138 (CHEMBL3808443 | US10040788, Example 1(a) | US10294...) Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccccc1 |r| Show InChI InChI=1S/C18H20N8O2S/c1-28-14(12-5-3-2-4-6-12)15(27)22-18-25-24-17(29-18)21-13-7-10-26(11-13)16-19-8-9-20-23-16/h2-6,8-9,13-14H,7,10-11H2,1H3,(H,21,24)(H,22,25,27)/t13-,14+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					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	60	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method				ACS Med Chem Lett 7: 520-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00060 BindingDB Entry DOI: 10.7270/Q2VQ34MG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50178230 (CHEMBL3814265 | US11191732, Example 5) Show SMILES Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)cc1 Show InChI InChI=1S/C24H24N6O3S2/c31-18-12-10-17(11-13-18)15-20(33)26-24-30-28-22(35-24)9-5-4-8-21-27-29-23(34-21)25-19(32)14-16-6-2-1-3-7-16/h1-3,6-7,10-13,31H,4-5,8-9,14-15H2,(H,25,29,32)(H,26,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method				ACS Med Chem Lett 7: 520-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00060 BindingDB Entry DOI: 10.7270/Q2VQ34MG
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50178230 (CHEMBL3814265 | US11191732, Example 5) Show SMILES Oc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)cc1 Show InChI InChI=1S/C24H24N6O3S2/c31-18-12-10-17(11-13-18)15-20(33)26-24-30-28-22(35-24)9-5-4-8-21-27-29-23(34-21)25-19(32)14-16-6-2-1-3-7-16/h1-3,6-7,10-13,31H,4-5,8-9,14-15H2,(H,25,29,32)(H,26,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM108731 (US8604016, 310 | US9938267, Cmpd ID 310) Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccn3)s2)s1 Show InChI InChI=1S/C23H23N7O2S2/c31-18(14-16-8-2-1-3-9-16)25-22-29-27-20(33-22)11-4-5-12-21-28-30-23(34-21)26-19(32)15-17-10-6-7-13-24-17/h1-3,6-10,13H,4-5,11-12,14-15H2,(H,25,29,31)(H,26,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method				ACS Med Chem Lett 7: 520-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00060 BindingDB Entry DOI: 10.7270/Q2VQ34MG
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM108730 (US8604016, 375 | US9938267, Cmpd ID 309) Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccnc3)s2)s1 Show InChI InChI=1S/C23H23N7O2S2/c31-18(13-16-7-2-1-3-8-16)25-22-29-27-20(33-22)10-4-5-11-21-28-30-23(34-21)26-19(32)14-17-9-6-12-24-15-17/h1-3,6-9,12,15H,4-5,10-11,13-14H2,(H,25,29,31)(H,26,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Curated by ChEMBL					Assay Description Inhibition of human kidney type glutaminase (124 to 669 residues) using L-[3H]-glutamine as substrate after 45 mins by topcount method				ACS Med Chem Lett 7: 520-4 (2016) Article DOI: 10.1021/acsmedchemlett.6b00060 BindingDB Entry DOI: 10.7270/Q2VQ34MG
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM108684 (US8604016, 264) Show SMILES COc1ccccc1CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1 Show InChI InChI=1S/C26H28N6O4S2/c1-35-19-11-5-3-9-17(19)15-21(33)27-25-31-29-23(37-25)13-7-8-14-24-30-32-26(38-24)28-22(34)16-18-10-4-6-12-20(18)36-2/h3-6,9-12H,7-8,13-16H2,1-2H3,(H,27,31,33)(H,28,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM108715 (US10793535, Cmpd ID 295 | US8604016, 295 | US99382...) Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 Show InChI InChI=1S/C26H26N6O2S/c33-23(17-19-9-3-1-4-10-19)27-22-16-15-21(29-30-22)13-7-8-14-25-31-32-26(35-25)28-24(34)18-20-11-5-2-6-12-20/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,27,30,33)(H,28,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 10 mM glutamine as substrate preincubated for 60 mins				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50547682 (CHEMBL4751180) Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSc2ccc(NC(=O)Cc3ccccc3)nn2)s1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of human kidney glutaminase using [3H]-Glutamine as substrate in presence of inhibitor incubated for 45 mins by Perkin Elmer ba...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115698 BindingDB Entry DOI: 10.7270/Q2KW5KMV
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503305 (CHEMBL4533926) Show SMILES O=C(Cc1ccccn1)Nc1ccc(nn1)[C@H]1CCC[C@@H](C1)c1ccc(NC(=O)Cc2ccccn2)nn1 |r| Show InChI InChI=1S/C28H28N8O2/c37-27(17-21-8-1-3-14-29-21)31-25-12-10-23(33-35-25)19-6-5-7-20(16-19)24-11-13-26(36-34-24)32-28(38)18-22-9-2-4-15-30-22/h1-4,8-15,19-20H,5-7,16-18H2,(H,31,35,37)(H,32,36,38)/t19-,20-/m0/s1	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503309 (CHEMBL4476215) Show SMILES O=C(CCCC(=O)c1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)CCCC(=O)c3ccccc3)s2)s1 Show InChI InChI=1S/C30H32N6O4S2/c37-23(21-11-3-1-4-12-21)15-9-17-25(39)31-29-35-33-27(41-29)19-7-8-20-28-34-36-30(42-28)32-26(40)18-10-16-24(38)22-13-5-2-6-14-22/h1-6,11-14H,7-10,15-20H2,(H,31,35,39)(H,32,36,40)	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503308 (CHEMBL4528646) Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3c[nH]c4ccccc34)s2)s1 Show InChI InChI=1S/C28H26N8O2S2/c37-23(13-17-15-29-21-9-3-1-7-19(17)21)31-27-35-33-25(39-27)11-5-6-12-26-34-36-28(40-26)32-24(38)14-18-16-30-22-10-4-2-8-20(18)22/h1-4,7-10,15-16,29-30H,5-6,11-14H2,(H,31,35,37)(H,32,36,38)	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404693 (N-(pyridin-2-ylmethyl)-5-[4-(6- {2-[3-(trifluorome...) Show SMILES FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(s3)C(=O)NCc3ccccn3)nn2)c1 Show InChI InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)32-21-12-11-18(33-34-21)7-1-2-10-23-35-36-25(40-23)24(38)31-16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,38)(H,32,34,37)	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) using 1 mM glutamine as substrate preincubated for 10 mins by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50547679 (CHEMBL4778536) Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSc2nnc(NC(=O)Cc3ccccn3)s2)s1 Show InChI	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 Allosteric inhibition of human kidney glutaminase using [3H]-Glutamine as substrate in presence of inhibitor incubated for 45 mins by Perkin Elmer ba...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115698 BindingDB Entry DOI: 10.7270/Q2KW5KMV
					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	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) using 1 mM glutamine as substrate preincubated for 10 mins by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503295 (CHEMBL4455802) Show SMILES FC(F)(F)c1ccnc(CNC(=O)c2nnc(s2)N2CC[C@@H](C2)c2ccc(NC(=O)Cc3ccccn3)nn2)c1 |r| Show InChI InChI=1S/C25H22F3N9O2S/c26-25(27,28)16-6-9-30-18(11-16)13-31-22(39)23-35-36-24(40-23)37-10-7-15(14-37)19-4-5-20(34-33-19)32-21(38)12-17-3-1-2-8-29-17/h1-6,8-9,11,15H,7,10,12-14H2,(H,31,39)(H,32,34,38)/t15-/m0/s1	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) using 1 mM glutamine as substrate preincubated for 10 mins by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503315 (CHEMBL4583483) Show SMILES O=C(Cc1ccccn1)Nc1nnc(s1)[C@H]1CC[C@@H](C1)c1nnc(NC(=O)Cc2ccccn2)s1 |r| Show InChI InChI=1S/C23H22N8O2S2/c32-18(12-16-5-1-3-9-24-16)26-22-30-28-20(34-22)14-7-8-15(11-14)21-29-31-23(35-21)27-19(33)13-17-6-2-4-10-25-17/h1-6,9-10,14-15H,7-8,11-13H2,(H,26,30,32)(H,27,31,33)/t14-,15-/m0/s1	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					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	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503306 (CHEMBL4591144) Show SMILES CC(=O)Nc1ccc(nn1)[C@H]1CCC[C@H](C1)c1ccc(NC(C)=O)nn1 |r| Show InChI InChI=1S/C18H22N6O2/c1-11(25)19-17-8-6-15(21-23-17)13-4-3-5-14(10-13)16-7-9-18(24-22-16)20-12(2)26/h6-9,13-14H,3-5,10H2,1-2H3,(H,19,23,25)(H,20,24,26)/t13-,14+	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503303 (CHEMBL4556025) Show SMILES O=C(Cc1ccccn1)Nc1nnc(s1)[C@@H]1CC[C@H](C1)c1nnc(NC(=O)Cc2ccccn2)s1 |r| Show InChI InChI=1S/C23H22N8O2S2/c32-18(12-16-5-1-3-9-24-16)26-22-30-28-20(34-22)14-7-8-15(11-14)21-29-31-23(35-21)27-19(33)13-17-6-2-4-10-25-17/h1-6,9-10,14-15H,7-8,11-13H2,(H,26,30,32)(H,27,31,33)/t14-,15-/m1/s1	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503307 (CHEMBL4466771) Show SMILES O=C(Cc1ccccc1)Nc1nnc(s1)[C@H]1CCC[C@@H](C1)c1nnc(NC(=O)Cc2ccccc2)s1 |r| Show InChI InChI=1S/C26H26N6O2S2/c33-21(14-17-8-3-1-4-9-17)27-25-31-29-23(35-25)19-12-7-13-20(16-19)24-30-32-26(36-24)28-22(34)15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,27,31,33)(H,28,32,34)/t19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503322 (CHEMBL4555100) Show SMILES O=C(Cc1ccccn1)Nc1nnc(s1)[C@H]1CCC[C@@H](C1)c1nnc(NC(=O)Cc2ccccn2)s1 |r| Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-17-8-1-3-10-25-17)27-23-31-29-21(35-23)15-6-5-7-16(12-15)22-30-32-24(36-22)28-20(34)14-18-9-2-4-11-26-18/h1-4,8-11,15-16H,5-7,12-14H2,(H,27,31,33)(H,28,32,34)/t15-,16-/m0/s1	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM404721 (5-(4-{4-[(pyridin-2- ylmethyl)carbamoyl]-1H- 1,2,3...) Show SMILES FC(F)(F)Oc1cccc(CNC(=O)c2nnc(CCCCn3cc(nn3)C(=O)NCc3ccccn3)s2)c1 Show InChI InChI=1S/C24H23F3N8O3S/c25-24(26,27)38-18-8-5-6-16(12-18)13-29-22(37)23-33-32-20(39-23)9-2-4-11-35-15-19(31-34-35)21(36)30-14-17-7-1-3-10-28-17/h1,3,5-8,10,12,15H,2,4,9,11,13-14H2,(H,29,37)(H,30,36)	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) using 1 mM glutamine as substrate preincubated for 10 mins by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503316 (CHEMBL4473972) Show SMILES O=C(Cc1ccccn1)Nc1ccc(nn1)[C@H]1CCC[C@H](C1)c1ccc(NC(=O)Cc2ccccn2)nn1 |r| Show InChI InChI=1S/C28H28N8O2/c37-27(17-21-8-1-3-14-29-21)31-25-12-10-23(33-35-25)19-6-5-7-20(16-19)24-11-13-26(36-34-24)32-28(38)18-22-9-2-4-15-30-22/h1-4,8-15,19-20H,5-7,16-18H2,(H,31,35,37)(H,32,36,38)/t19-,20+	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 Curated by ChEMBL					Assay Description Inhibition of GAC (unknown origin) assessed as NADH formation using 1.8 to 13 mM glutamine as substrate preincubated for 60 mins by resorufin dye bas...				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial (Homo sapiens (Human))	BDBM50503297 (CHEMBL4563113) Show SMILES FC(F)(F)Oc1cccc(c1)[C@@H](N1CCC1)C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1 |r| Show InChI InChI=1S/C22H23F3N8O2S/c23-22(24,25)35-16-5-1-4-14(12-16)18(32-9-3-10-32)19(34)28-21-31-30-20(36-21)27-15-7-11-33(13-15)17-6-2-8-26-29-17/h1-2,4-6,8,12,15,18H,3,7,9-11,13H2,(H,27,30)(H,28,31,34)/t15-,18-/m1/s1	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 Curated by ChEMBL					Assay Description Inhibition of human KGA (63 to 669 residues) preincubated for 15 mins using 50 mM glutamine as substrate by resorufin dye based assay				J Med Chem 62: 46-59 (2019) Article DOI: 10.1021/acs.jmedchem.8b00327 BindingDB Entry DOI: 10.7270/Q26T0QZ0
					More data for this Ligand-Target Pair

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