Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'ayton' and Initial = 'k'   

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
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50550438 (CHEMBL4798388) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of active recombinant human N-terminal His-tagged 11-betaHSD1 expressed in Escherichia coli using cortisone, NADPH and glucose-6-phosphate...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550442 (CHEMBL4747862) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC(C)C2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:1.0,7.9,5.6,TLB:18:20:26.30.27:22.23.24,18:20:24:26.27.29,30:27:20.21.22:24,THB:29:27:20:22.23.24,29:23:20:26.30.27,30:21:24:26.27.29,(8.81,-18.8,;8.58,-17.29,;10.07,-16.9,;10.17,-15.36,;8.74,-14.8,;7.76,-15.99,;6.47,-15.13,;7.05,-17.35,;5.75,-18.18,;5.81,-19.72,;4.38,-17.47,;11.47,-14.54,;11.4,-13,;12.7,-12.17,;14.07,-12.88,;15.36,-12.05,;16.73,-12.77,;15.3,-10.52,;16.58,-9.7,;16.51,-8.18,;17.94,-10.4,;19.41,-9.93,;19.34,-8.36,;20.31,-7.1,;19,-7.63,;19.07,-9.09,;20.41,-9.52,;21.77,-9.12,;23.24,-9.5,;21.72,-7.61,;20.83,-10.42,;14.13,-14.42,;15.5,-15.13,;16.8,-14.3,;18.16,-15.02,;18.23,-16.55,;16.93,-17.38,;19.59,-17.26,;12.83,-15.25,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550438 (CHEMBL4798388) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550441 (CHEMBL4790846) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(C4)(C3)OC)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:22:21:27:24.23.18,22:23:27:20.26.21,THB:26:25:18:20.21.22,26:21:27.25.24:18,28:25:18:20.21.22,17:18:27:20.26.21,(13.54,-13.37,;14.16,-11.97,;15.62,-12.44,;16.53,-11.2,;15.62,-9.95,;14.16,-10.43,;13.54,-9.02,;12.83,-11.2,;11.29,-11.2,;10.52,-12.53,;10.52,-9.86,;18.07,-11.2,;18.84,-9.86,;20.38,-9.86,;21.15,-11.2,;22.69,-11.2,;23.46,-12.53,;23.46,-9.86,;24.86,-9.47,;25.95,-10.36,;27.1,-9.68,;27.68,-8.46,;26.57,-7.54,;25.32,-8.21,;25.59,-9.7,;26.75,-10.65,;28,-9.96,;26.16,-11.99,;27.77,-11.67,;27.4,-13.07,;20.38,-12.53,;21.15,-13.86,;22.69,-13.86,;23.46,-15.2,;22.69,-16.53,;23.46,-17.86,;21.15,-16.53,;18.84,-12.53,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550438 (CHEMBL4798388) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132C mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550483 (CHEMBL4751940) Show SMILES Cc1ccccc1COc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC[C@@H](CC(O)=O)C1 |r,wU:33.38,TLB:28:25:18.19.20:22,17:18:22:24.25.27,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(19.28,-17.93,;20.6,-17.13,;21.95,-17.87,;23.27,-17.07,;23.23,-15.53,;21.89,-14.78,;20.57,-15.58,;19.22,-14.84,;17.9,-15.64,;16.55,-14.9,;15.23,-15.7,;13.88,-14.95,;13.85,-13.41,;15.16,-12.61,;16.51,-13.36,;17.84,-12.56,;19.18,-13.3,;17.81,-11.02,;19.07,-10.29,;20.49,-9.86,;20.45,-8.36,;21.41,-7.17,;20.14,-7.65,;20.18,-9.06,;21.45,-9.5,;22.76,-9.14,;24.22,-9.05,;22.74,-7.69,;21.83,-10.37,;12.56,-15.75,;12.6,-17.29,;11.27,-18.08,;9.92,-17.34,;9.9,-15.8,;8.56,-15.06,;8.53,-13.52,;9.85,-12.73,;7.19,-12.78,;11.21,-15.01,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550477 (CHEMBL4796479) Show SMILES CC(C)CCOc1nc(Nc2csc(n2)C(O)=O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:34:31:24.25.26:28,23:24:28:30.31.33,THB:34:25:28:30.31.33,33:31:24:26.27.28,33:27:24:30.34.31,32:31:24:26.27.28,32:31:24.25.26:28,(21.29,-15.61,;19.95,-14.86,;18.62,-15.65,;19.93,-13.31,;18.58,-12.56,;18.56,-11.02,;17.21,-10.26,;15.89,-11.05,;14.54,-10.3,;13.21,-11.09,;11.86,-10.33,;11.68,-8.8,;10.17,-8.5,;9.41,-9.84,;10.46,-10.98,;7.88,-10.03,;6.95,-8.79,;7.26,-11.44,;14.52,-8.75,;15.84,-7.96,;17.2,-8.72,;18.52,-7.93,;18.49,-6.38,;19.87,-8.68,;21.11,-7.93,;22.53,-7.53,;22.53,-6.03,;23.51,-4.87,;22.24,-5.32,;22.24,-6.72,;23.5,-7.18,;24.82,-6.86,;26.27,-6.8,;24.83,-5.41,;23.86,-8.06,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550443 (CHEMBL4747823) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC(C)C2C3CC4CC2CC(C4)(C3)OC(F)F)c(OCCC(C)C)n1 |r,wD:1.0,7.9,5.6,TLB:18:20:26.29.27:22.23.24,18:20:24:26.27.28,29:27:20.21.22:24,THB:28:27:20:22.23.24,28:23:20:26.29.27,29:21:24:26.27.28,(8.81,-18.8,;8.58,-17.29,;10.07,-16.9,;10.17,-15.36,;8.74,-14.8,;7.76,-15.99,;6.47,-15.13,;7.05,-17.35,;5.75,-18.18,;5.81,-19.72,;4.38,-17.47,;11.47,-14.54,;11.4,-13,;12.7,-12.17,;14.07,-12.88,;15.36,-12.05,;16.73,-12.77,;15.3,-10.52,;16.58,-9.7,;16.51,-8.18,;17.94,-10.4,;19.41,-9.93,;19.34,-8.36,;20.31,-7.1,;19,-7.63,;19.07,-9.09,;20.41,-9.52,;21.77,-9.12,;21.72,-7.61,;20.83,-10.42,;23.24,-9.5,;24.31,-8.42,;25.79,-8.81,;23.91,-6.95,;14.13,-14.42,;15.5,-15.13,;16.8,-14.3,;18.16,-15.02,;18.23,-16.55,;16.93,-17.38,;19.59,-17.26,;12.83,-15.25,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550472 (CHEMBL4779399) Show SMILES CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CC[C@H](CC(O)=O)C1 |r,wD:29.33,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(21.01,-19.69,;19.66,-18.93,;18.33,-19.72,;19.64,-17.39,;18.3,-16.63,;18.28,-15.09,;16.92,-14.34,;15.6,-15.13,;14.25,-14.37,;14.24,-12.83,;15.56,-12.04,;16.91,-12.79,;18.23,-12,;18.21,-10.46,;19.58,-12.76,;20.83,-12,;22.25,-11.6,;22.24,-10.11,;23.23,-8.94,;21.95,-9.39,;21.96,-10.8,;23.21,-11.26,;24.53,-10.93,;25.99,-10.87,;24.54,-9.49,;23.58,-12.14,;12.93,-15.16,;12.79,-16.7,;11.29,-17.04,;10.5,-15.72,;8.97,-15.58,;8.08,-16.84,;6.55,-16.71,;8.73,-18.24,;11.52,-14.56,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550471 (CHEMBL4763449) Show SMILES CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC[C@@H](CC(O)=O)C1 |r,wU:30.34,TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:23:22:15:17.18.19,23:22:15.16.17:19,25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,(20.88,-20.94,;19.54,-20.18,;18.21,-20.97,;19.52,-18.64,;18.17,-17.89,;18.15,-16.34,;16.8,-15.59,;15.48,-16.38,;14.13,-15.63,;14.12,-14.08,;15.44,-13.29,;16.79,-14.05,;18.11,-13.26,;18.09,-11.72,;19.46,-14.01,;20.7,-13.26,;22.12,-12.86,;22.12,-11.36,;23.1,-10.2,;21.83,-10.65,;21.83,-12.05,;23.09,-12.51,;24.41,-12.19,;25.86,-12.13,;24.42,-10.74,;23.45,-13.39,;12.81,-16.42,;12.83,-17.96,;11.5,-18.75,;10.16,-18,;10.14,-16.45,;8.79,-15.7,;7.47,-16.49,;6.12,-15.73,;7.49,-18.03,;11.47,-15.66,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550385 (CHEMBL4753084) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(SCCC(C)C)n1 |r,wD:5.6,1.0,7.9,TLB:17:18:20:27.28.25,26:25:18:20.21.22,THB:27:25:18:20.21.22,27:21:18:28.25.24,26:25:20:18.23.22,24:25:20:18.23.22,24:23:20:27.28.25,(34.39,-33.02,;34.79,-31.53,;35.81,-32.71,;37.23,-32.09,;37.1,-30.56,;35.59,-30.21,;36.36,-28.87,;34.04,-30.18,;32.75,-29.39,;32.78,-27.87,;31.41,-30.12,;38.56,-32.89,;38.51,-34.44,;39.84,-35.24,;41.2,-34.5,;42.53,-35.31,;42.49,-36.86,;43.86,-34.57,;45.18,-35.36,;45.19,-36.77,;44.06,-37.99,;45.49,-37.59,;45.46,-36.08,;46.45,-34.92,;47.79,-35.45,;47.78,-36.9,;49.22,-36.83,;46.81,-38.12,;46.45,-37.24,;41.24,-32.96,;42.59,-32.21,;42.62,-30.67,;43.89,-29.79,;45.26,-30.44,;46.51,-29.57,;45.38,-31.95,;39.91,-32.15,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550385 (CHEMBL4753084) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(SCCC(C)C)n1 |r,wD:5.6,1.0,7.9,TLB:17:18:20:27.28.25,26:25:18:20.21.22,THB:27:25:18:20.21.22,27:21:18:28.25.24,26:25:20:18.23.22,24:25:20:18.23.22,24:23:20:27.28.25,(34.39,-33.02,;34.79,-31.53,;35.81,-32.71,;37.23,-32.09,;37.1,-30.56,;35.59,-30.21,;36.36,-28.87,;34.04,-30.18,;32.75,-29.39,;32.78,-27.87,;31.41,-30.12,;38.56,-32.89,;38.51,-34.44,;39.84,-35.24,;41.2,-34.5,;42.53,-35.31,;42.49,-36.86,;43.86,-34.57,;45.18,-35.36,;45.19,-36.77,;44.06,-37.99,;45.49,-37.59,;45.46,-36.08,;46.45,-34.92,;47.79,-35.45,;47.78,-36.9,;49.22,-36.83,;46.81,-38.12,;46.45,-37.24,;41.24,-32.96,;42.59,-32.21,;42.62,-30.67,;43.89,-29.79,;45.26,-30.44,;46.51,-29.57,;45.38,-31.95,;39.91,-32.15,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550438 (CHEMBL4798388) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of Myc-tagged IDH1 R132H mutant (unknown origin) expressed in human THP-1 cells assessed as inhibition of 2-HG production incub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550383 (CHEMBL4760640) Show SMILES OC(=O)C[C@H]1CCN(C1)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(SC2CCCCC2)n1 |r,wD:4.3,TLB:15:16:18:26.25.23,16:17:25:22.21.20,THB:24:23:18:21.16.20,22:21:18:26.25.23,22:23:18:21.16.20,16:21:25:26.18.17,(11.07,-25.08,;11.66,-26.48,;10.75,-27.68,;13.17,-26.67,;13.76,-28.06,;12.96,-29.39,;13.97,-30.56,;15.4,-29.95,;15.27,-28.41,;16.73,-30.75,;16.68,-32.3,;18,-33.1,;19.36,-32.35,;20.69,-33.17,;20.65,-34.72,;22.05,-32.43,;23.36,-33.23,;23.38,-34.63,;22.25,-35.85,;23.68,-35.45,;23.66,-33.95,;24.63,-32.77,;25.97,-33.31,;25.97,-34.76,;27.42,-34.69,;25.01,-35.97,;24.64,-35.1,;19.39,-30.82,;20.75,-30.07,;20.78,-28.53,;19.46,-27.73,;19.5,-26.18,;20.86,-25.44,;22.18,-26.24,;22.15,-27.78,;18.07,-30.01,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550383 (CHEMBL4760640) Show SMILES OC(=O)C[C@H]1CCN(C1)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(SC2CCCCC2)n1 |r,wD:4.3,TLB:15:16:18:26.25.23,16:17:25:22.21.20,THB:24:23:18:21.16.20,22:21:18:26.25.23,22:23:18:21.16.20,16:21:25:26.18.17,(11.07,-25.08,;11.66,-26.48,;10.75,-27.68,;13.17,-26.67,;13.76,-28.06,;12.96,-29.39,;13.97,-30.56,;15.4,-29.95,;15.27,-28.41,;16.73,-30.75,;16.68,-32.3,;18,-33.1,;19.36,-32.35,;20.69,-33.17,;20.65,-34.72,;22.05,-32.43,;23.36,-33.23,;23.38,-34.63,;22.25,-35.85,;23.68,-35.45,;23.66,-33.95,;24.63,-32.77,;25.97,-33.31,;25.97,-34.76,;27.42,-34.69,;25.01,-35.97,;24.64,-35.1,;19.39,-30.82,;20.75,-30.07,;20.78,-28.53,;19.46,-27.73,;19.5,-26.18,;20.86,-25.44,;22.18,-26.24,;22.15,-27.78,;18.07,-30.01,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550438 (CHEMBL4798388) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCCC(C)C)n1 |r,wD:7.9,1.0,5.6,TLB:26:25:20.21.22:18,17:18:20:28.27.25,THB:26:25:20:22.23.18,27:21:18:28.25.24,27:25:20.21.22:18,24:25:20:22.23.18,24:23:20:28.27.25,(9.74,-13.04,;10.37,-11.64,;11.83,-12.11,;12.74,-10.87,;11.83,-9.62,;10.37,-10.1,;9.74,-8.69,;9.03,-10.87,;7.49,-10.87,;6.72,-12.2,;6.72,-9.53,;14.27,-10.87,;15.04,-9.53,;16.59,-9.53,;17.36,-10.87,;18.9,-10.87,;19.67,-12.2,;19.67,-9.53,;21.07,-9.14,;22.15,-10.03,;22.37,-11.66,;22.96,-10.32,;21.8,-9.37,;21.52,-7.88,;22.78,-7.21,;23.89,-8.13,;24.77,-6.97,;24.21,-9.63,;23.31,-9.35,;16.59,-12.2,;17.36,-13.53,;18.9,-13.53,;19.67,-14.87,;18.9,-16.2,;19.67,-17.53,;17.36,-16.2,;15.04,-12.2,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as reduction in 2-HG production incubated for 48 hrs ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550484 (CHEMBL4754505) Show SMILES OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCc2ccccc2Cl)n1 |r,wU:4.3,TLB:27:24:17.18.19:21,16:17:21:23.24.26,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(9.85,-12.73,;8.53,-13.52,;7.19,-12.78,;8.56,-15.06,;9.9,-15.8,;9.92,-17.34,;11.27,-18.08,;12.6,-17.29,;12.56,-15.75,;11.21,-15.01,;13.88,-14.95,;13.85,-13.41,;15.16,-12.61,;16.51,-13.36,;17.84,-12.56,;19.18,-13.3,;17.81,-11.02,;19.07,-10.29,;20.49,-9.86,;20.45,-8.36,;21.41,-7.17,;20.14,-7.65,;20.18,-9.06,;21.45,-9.5,;22.76,-9.14,;24.22,-9.05,;22.74,-7.69,;21.83,-10.37,;16.55,-14.9,;17.9,-15.64,;19.22,-14.84,;20.57,-15.58,;21.89,-14.78,;23.23,-15.53,;23.27,-17.07,;21.95,-17.87,;20.6,-17.13,;19.28,-17.93,;15.23,-15.7,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550482 (CHEMBL4785487) Show SMILES OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCc2ccccc2)n1 |r,wU:4.3,TLB:27:24:17.18.19:21,16:17:21:23.24.26,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(9.85,-12.73,;8.53,-13.52,;7.19,-12.78,;8.56,-15.06,;9.9,-15.8,;9.92,-17.34,;11.27,-18.08,;12.6,-17.29,;12.56,-15.75,;11.21,-15.01,;13.88,-14.95,;13.85,-13.41,;15.16,-12.61,;16.51,-13.36,;17.84,-12.56,;19.18,-13.3,;17.81,-11.02,;19.07,-10.29,;20.49,-9.86,;20.45,-8.36,;21.41,-7.17,;20.14,-7.65,;20.18,-9.06,;21.45,-9.5,;22.76,-9.14,;24.22,-9.05,;22.74,-7.69,;21.83,-10.37,;16.55,-14.9,;17.9,-15.64,;19.22,-14.84,;20.57,-15.58,;21.89,-14.78,;23.23,-15.53,;23.27,-17.07,;21.95,-17.87,;20.6,-17.13,;15.23,-15.7,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550444 (CHEMBL4759241) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(O)c2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550384 (CHEMBL4748734) Show SMILES OC(=O)[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(SC2CCCC2)n1 |r,TLB:15:16:18:26.25.23,24:23:18.19.20:16,THB:25:19:16:26.23.22,25:23:18.19.20:16,24:23:18:20.21.16,22:23:18:20.21.16,22:21:18:26.25.23| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550384 (CHEMBL4748734) Show SMILES OC(=O)[C@@H]1[C@H]2CN(C[C@@H]12)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(SC2CCCC2)n1 |r,TLB:15:16:18:26.25.23,24:23:18.19.20:16,THB:25:19:16:26.23.22,25:23:18.19.20:16,24:23:18:20.21.16,22:23:18:20.21.16,22:21:18:26.25.23| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550474 (CHEMBL4778659) Show SMILES CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)-c1ccc(cc1)C(O)=O |TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(21.68,-17.87,;20.33,-17.12,;19,-17.91,;20.31,-15.57,;18.97,-14.82,;18.95,-13.28,;17.59,-12.52,;16.27,-13.31,;14.92,-12.56,;14.91,-11.02,;16.23,-10.23,;17.58,-10.98,;18.9,-10.19,;18.88,-8.65,;20.25,-10.94,;21.5,-10.19,;22.92,-9.79,;22.91,-8.3,;23.89,-7.13,;22.62,-7.58,;22.63,-8.98,;23.88,-9.45,;25.2,-9.12,;26.66,-9.06,;25.21,-7.67,;24.24,-10.33,;13.6,-13.34,;12.26,-12.59,;10.93,-13.37,;10.95,-14.92,;12.3,-15.67,;13.63,-14.88,;9.62,-15.71,;8.27,-14.96,;9.64,-17.26,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550446 (CHEMBL4749350) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550445 (CHEMBL4795545) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC[C@@H](O)c2ccccc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550481 (CHEMBL4758089) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCc2ccccc2Cl)n1 |r,wD:7.9,5.6,1.0,TLB:17:18:22:24.25.27,28:25:18.19.20:22,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(10.34,-18.1,;10.15,-16.58,;11.65,-16.23,;11.78,-14.69,;10.36,-14.09,;9.35,-15.26,;8.08,-14.38,;8.61,-16.61,;7.29,-17.41,;5.94,-16.66,;7.32,-18.95,;13.1,-13.9,;13.07,-12.36,;14.39,-11.55,;15.73,-12.3,;17.06,-11.5,;18.4,-12.24,;17.03,-9.96,;18.29,-9.23,;19.71,-8.81,;19.67,-7.31,;20.63,-6.12,;19.36,-6.6,;19.4,-8,;20.67,-8.44,;21.98,-8.08,;23.44,-8,;21.96,-6.64,;21.05,-9.31,;15.77,-13.84,;17.12,-14.58,;18.43,-13.78,;19.79,-14.52,;21.11,-13.73,;22.45,-14.47,;22.49,-16.01,;21.17,-16.81,;19.82,-16.07,;18.5,-16.87,;14.45,-14.64,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550448 (CHEMBL4759317) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(CO)c2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550473 (CHEMBL4754955) Show SMILES CC(C)CCOc1nc(ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2)N1CCC(CC1)C(O)=O |TLB:25:22:15.16.17:19,14:15:19:21.22.24,THB:25:16:19:21.22.24,24:22:15:17.18.19,24:18:15:21.25.22,23:22:15:17.18.19,23:22:15.16.17:19,(21,-19.68,;19.66,-18.92,;18.33,-19.71,;19.63,-17.38,;18.29,-16.63,;18.27,-15.08,;16.92,-14.33,;15.6,-15.12,;14.25,-14.37,;14.23,-12.82,;15.55,-12.03,;16.9,-12.79,;18.22,-12,;18.2,-10.45,;19.58,-12.75,;20.82,-12,;22.24,-11.6,;22.23,-10.1,;23.22,-8.94,;21.94,-9.39,;21.95,-10.79,;23.21,-11.25,;24.53,-10.93,;25.98,-10.87,;24.54,-9.48,;23.57,-12.13,;12.92,-15.16,;11.58,-14.4,;10.26,-15.18,;10.28,-16.72,;11.62,-17.48,;12.95,-16.69,;8.95,-17.51,;7.61,-16.75,;8.97,-19.05,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550450 (CHEMBL4753540) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2CCCCCC2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550447 (CHEMBL4745793) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCCc2ccccc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550449 (CHEMBL4797648) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550412 (CHEMBL4764671) Show SMILES Cc1ccccc1COc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550480 (CHEMBL4743661) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OCc2ccccc2C)n1 |r,wD:7.9,5.6,1.0,TLB:17:18:22:24.25.27,28:25:18.19.20:22,THB:28:19:22:24.25.27,27:25:18:20.21.22,27:21:18:24.28.25,26:25:18:20.21.22,26:25:18.19.20:22,(10.34,-18.11,;10.15,-16.58,;11.65,-16.23,;11.78,-14.69,;10.37,-14.1,;9.35,-15.26,;8.09,-14.38,;8.61,-16.61,;7.29,-17.41,;5.94,-16.66,;7.32,-18.95,;13.1,-13.9,;13.07,-12.36,;14.39,-11.55,;15.73,-12.3,;17.06,-11.5,;18.41,-12.24,;17.03,-9.96,;18.29,-9.24,;19.71,-8.81,;19.67,-7.31,;20.63,-6.12,;19.36,-6.6,;19.4,-8,;20.67,-8.44,;21.98,-8.09,;23.44,-8,;21.97,-6.64,;21.05,-9.32,;15.77,-13.84,;17.12,-14.58,;18.44,-13.78,;19.79,-14.53,;21.11,-13.73,;22.46,-14.48,;22.49,-16.02,;21.17,-16.81,;19.82,-16.07,;18.51,-16.87,;14.45,-14.64,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550413 (CHEMBL4764584) Show SMILES Cc1cccc(COc2nc(ccc2C(=O)NC2CCCCC2)N2CCC[C@@H](CC(O)=O)C2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550451 (CHEMBL4760471) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(c2)B(O)O)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550454 (CHEMBL4758453) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2ccc(O)cc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550453 (CHEMBL4751611) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550458 (CHEMBL4781537) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550418 (CHEMBL4797659) Show SMILES OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2ccccc2F)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550469 (CHEMBL4752193) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550452 (CHEMBL4750921) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2cccnc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550456 (CHEMBL4741078) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2ccc(CO)cc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550427 (CHEMBL4755116) Show SMILES C[C@@H](Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1)c1ccccc1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550425 (CHEMBL4786122) Show SMILES C[C@@H](Oc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1)c1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550457 (CHEMBL4791653) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)Nc2cccc(c2)C(N)=O)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550459 (CHEMBL4781442) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2ccncc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550460 (CHEMBL4748430) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2cccc(O)c2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM119225 (US8673938, 136) Show SMILES CC(C)CCOc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@@H](CC(O)=O)C1 |r| Show InChI InChI=1S/C24H37N3O4/c1-17(2)12-14-31-24-20(23(30)25-19-8-4-3-5-9-19)10-11-21(26-24)27-13-6-7-18(16-27)15-22(28)29/h10-11,17-19H,3-9,12-16H2,1-2H3,(H,25,30)(H,28,29)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550461 (CHEMBL4742140) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2cccc(Cl)c2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550462 (CHEMBL4760275) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2C(O)=O)c1ccc(C(=O)NCc2ccc(O)cc2)c(OCCC(C)C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550421 (CHEMBL4776196) Show SMILES OC(=O)C[C@@H]1CCCN(C1)c1ccc(C(=O)NC2CCCCC2)c(OCc2ccccc2Cl)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair

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